SCHEMBL334463

SCHEMBL334463

CC(=O)c1cc(C)nn1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
TAS2R8 Q9NYW2 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
SCHEMBL27637077 0.84 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAKDM4EGRN
SCHEMBL286931 0.83 KDM4E (0.58) SMN1; SMN2LMNAGAAKDM4EGRN
SCHEMBL2338097 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAGAAKDM4EGRN
SCHEMBL387324 0.81 SMN1; SMN2 (0.46) SMN1; SMN2LMNAGAAKDM4EGRN
Hydrochloric Acid SCHEMBL9680540 0.81 KDM4E (0.56) SMN1; SMN2LMNAGAAKDM4EGRN
SCHEMBL8571547 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAGAAKDM4EGRN
Hydrochloric Acid SCHEMBL5754005 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAGAAKDM4EGRN
Hydrochloric Acid SCHEMBL4035308 0.79 SMN1; SMN2 (0.44) SMN1; SMN2LMNAGAAKDM4EGRN
SCHEMBL16450837 0.78 KDM4E (0.40) SMN1; SMN2KDM4EGRNSORT1MEN1
SCHEMBL12011418 0.78 MEN1 (0.42) SMN1; SMN2LMNAKDM4EGRNSORT1

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
CN-118738556-A Electrolyte and lithium metal battery 蜂巢能源科技股份有限公司 2024-10-01 CN claimed
CN-118738556-A Electrolyte and lithium metal battery 蜂巢能源科技股份有限公司 2024-10-01 CN disclosed
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X Design Therapeutics, Inc. 2023-09-14 US disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 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 (9 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA SMN1; SMN2 823/4885LMNA 1180/4885GAA 4081/4885
US-20230285569-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF FRAGILE X CYFIP2, TPX2, CYFIP1 SMN1; SMN2 48/4885LMNA 1622/4885GAA 752/4885
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SMN1; SMN2 1613/4885LMNA 941/4885GAA 2818/4885
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL SMN1; SMN2 2070/4885LMNA 3614/4885GAA 638/4885
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 SMN1; SMN2 4061/4885LMNA 3906/4885GAA 1862/4885
US-20090191153-A1 OXIMYL MACROCYCLIC DERIVATIVES CYP3A4, CYP4A22, HCCS SMN1; SMN2 2334/4885LMNA 3042/4885GAA 424/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB SMN1; SMN2 1613/4885LMNA 941/4885GAA 2818/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SMN1; SMN2 1613/4885LMNA 941/4885GAA 2818/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA SMN1; SMN2 823/4885LMNA 1180/4885GAA 4081/4885

“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.