SCHEMBL69983

SCHEMBL69983

CC(C)c1ccc2c(c1)N(C)CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
USP9X Q93008 1/20 0.43
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.41
PKLR P30613 1/20 0.41
RAB9A P51151 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
AR P10275 1/20 0.38
NOTUM Q6P988 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
PFKFB3 Q16875 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
PTGER3 P43115 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL70633 0.88 TDP1 (0.53) TDP1CYP11B1CYP11B2PTGS1PTGS2
SCHEMBL23506557 0.87 TDP1 (0.43) TDP1USP9XPKMNPC1PKLR
SCHEMBL21725670 0.83 TDP1 (0.38) TDP1USP9XPTGS1PTGS2NOTUM
SCHEMBL15625462 0.83 TDP1 (0.38) TDP1USP9XPTGS1PTGS2NOTUM
SCHEMBL13392142 0.82 TDP1 (0.36) TDP1USP9XKMT2APTGS1PTGS2
SCHEMBL24486502 0.82 PDE3B (0.51) TDP1USP9XPKMNPC1PKLR
SCHEMBL13085655 0.82 AR (0.42) TDP1PKMKMT2AARALDH1A1
SCHEMBL13035770 0.81 PTGER3 (0.42) TDP1PTGS1PTGS2ARALDH1A1
SCHEMBL22152189 0.81 TDP1 (0.39) TDP1PTGS1PTGS2HTTTRPV1
SCHEMBL13085614 0.81 NPY5R (0.39) TDP1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024112918-A1 RNA DEGRADERS AND USES THEREOF ARRAKIS THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-4104865-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2022-12-21 EP disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 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 (12 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 TDP1 94/4885USP9X 2022/4885PKM 318/4885
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TDP1 819/4885USP9X 2386/4885PKM 2092/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TDP1 700/4885USP9X 2214/4885PKM 1075/4885
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 TDP1 517/4885USP9X 1/4885PKM 3873/4885
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 TDP1 966/4885USP9X 2520/4885PKM 3564/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 TDP1 3063/4885USP9X 1491/4885PKM 1092/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 TDP1 465/4885USP9X 3236/4885PKM 2039/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 TDP1 1275/4885USP9X 2838/4885PKM 4608/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TDP1 4001/4885USP9X 3871/4885PKM 2538/4885
US-20130203747-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 TDP1 966/4885USP9X 2520/4885PKM 3564/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TDP1 4001/4885USP9X 3871/4885PKM 2538/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TDP1 819/4885USP9X 2386/4885PKM 2092/4885

“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.