SCHEMBL45848

SCHEMBL45848

CCc1ccc(CC)nn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PARP1 P09874 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SLC5A2 P31639 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7072554 0.86 — —
SCHEMBL19009140 0.86 CYP19A1 (0.36) NOS3NOS2CYP1A2POLBALDH1A1
SCHEMBL20207547 0.86 — —
SCHEMBL26454386 0.86 CCR1 (0.42) —
SCHEMBL11996541 0.84 — —
SCHEMBL2633173 0.84 — —
SCHEMBL13748555 0.84 — —
SCHEMBL459814 0.84 — —
SCHEMBL2600117 0.84 — —
SCHEMBL12356544 0.84 KCNH2 (0.45) TP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR C4 THERAPEUTICS, INC. (US) 2023-06-13 — — US disclosed
US-20230152257-A1 METHODS AND COMPOSITIONS FOR SCREENING AND IDENTIFICATION OF SPLICING SKYHAWK THERAPEUTICS, INC. 2023-05-18 — — US disclosed
US-11091475-B2 Methods and compositions for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2021-08-17 — — US disclosed
US-20210171519-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2021-06-10 — — US disclosed
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-02 — — US disclosed
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS DUKE UNIVERSITY 2017-11-16 — — US disclosed
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS DUKE UNIVERSITY 2017-11-16 — — US disclosed
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF WELLSPRING BIOSCIENCES LLC 2017-08-31 — — US disclosed
US-9642924-B2 Contrast agents based on long-lived nuclear singlet states and related methods DUKE UNIVERSITY (US) 2017-05-09 — — US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 — — US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 — — US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 — — US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 — — US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 — — US disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 — — US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 — — US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 — — US disclosed
US-7241773-B2 3-quinuclidinyl heteroatom bridged biaryl derivatives ABBOTT LABORATORIES (US) 2007-07-10 — — US disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230152257-A1 METHODS AND COMPOSITIONS FOR SCREENING AND IDENTIFICATION OF SPLICING SNRPE, RBM17, SNRPA1 TP53 1016/4885NOS3 3535/4885NOS2 4025/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 TP53 804/4885NOS3 3811/4885NOS2 3364/4885
US-10246464-B2 Thienopyrimidine and thienopyridine compounds and methods of use thereof MLLT1, MEN1, TERF2IP TP53 768/4885NOS3 4776/4885NOS2 4634/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP TP53 4241/4885NOS3 4611/4885NOS2 4456/4885
US-20170326258-A1 CONTRAST AGENTS BASED ON LONG-LIVED NUCLEAR SINGLET STATES AND RELATED METHODS OAT, RXFP1, RXFP2 TP53 1148/4885NOS3 1693/4885NOS2 1208/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 TP53 2722/4885NOS3 1604/4885NOS2 963/4885
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 TP53 2777/4885NOS3 580/4885NOS2 1853/4885
US-20210171519-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SNRPA1 TP53 1932/4885NOS3 1924/4885NOS2 2491/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C TP53 2554/4885NOS3 1210/4885NOS2 1501/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS TP53 600/4885NOS3 4833/4885NOS2 4834/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 TP53 3570/4885NOS3 3085/4885NOS2 3112/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 TP53 4367/4885NOS3 2368/4885NOS2 2467/4885
US-11091475-B2 Methods and compositions for modulating splicing RBM17, SF3B1, SNRPA1 TP53 1932/4885NOS3 1924/4885NOS2 2491/4885
US-20170247391-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MEN1, TERF2IP TP53 768/4885NOS3 4776/4885NOS2 4634/4885
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR EGFR, ERBB2, ERBB3 TP53 7/4885NOS3 3683/4885NOS2 3831/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback