SCHEMBL20719

SCHEMBL20719

OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.78
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 1/20 0.56

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
SCHEMBL2974293 1.00 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL65364 1.00 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21315849 0.98 SIGMAR1 (0.76) SIGMAR1LMNAPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21315850 0.98 SIGMAR1 (0.76) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5639480 0.92 SIGMAR1 (0.67) SIGMAR1ALDH1A1
SCHEMBL3494735 0.88 SIGMAR1 (0.80) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL4836976 0.88 SIGMAR1 (0.80) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL2419294 0.86 SIGMAR1 (0.60) SIGMAR1LMNA
SCHEMBL5710391 0.86 SIGMAR1 (0.60) SIGMAR1LMNAPOLBGAA
SCHEMBL21315846 0.85 SIGMAR1 (0.59) SIGMAR1LMNAPOLBALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216361-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B V (US) 2024-07-04 US disclosed
US-20230277527-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2023-09-07 US disclosed
CN-110139652-B ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2022-10-11 CN disclosed
EP-3532062-B1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES BV (US) 2022-07-20 EP disclosed
US-20220175765-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2022-06-09 US disclosed
US-20210069182-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES B.V. 2021-03-11 US disclosed
US-10905687-B2 Substituted piperazines as ROR-gamma modulators ESCALIER BIOSCIENCES B.V. (US) 2021-02-02 US disclosed
US-20190269674-A1 ROR-GAMMA MODULATORS ESCALIER BIOSCIENCES, BV (US) 2019-09-05 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists CARLING WILLIAM ROBERT 2009-02-26 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US disclosed
US-20050059662-A1 Substituted quinazolinone compounds CHIRON CORPORATION 2005-03-17 US disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 WO 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-20050059662-A1 Substituted quinazolinone compounds MC4R, MC2R, MC3R SIGMAR1 1329/4885LMNA 3489/4885POLB 3304/4885
US-20230277527-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885LMNA 2990/4885POLB 2301/4885
US-20240216361-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885LMNA 2990/4885POLB 2301/4885
US-20210069182-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885LMNA 2990/4885POLB 2301/4885
US-20090054440-A1 Quinoline derivatives as neurokinin receptor antagonists TACR2, TACR3, NPY2R SIGMAR1 367/4885LMNA 2882/4885POLB 4645/4885
US-10905687-B2 Substituted piperazines as ROR-gamma modulators RORC, RORA, RORB SIGMAR1 477/4885LMNA 2539/4885POLB 1965/4885
US-20220175765-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885LMNA 2990/4885POLB 2301/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R SIGMAR1 348/4885LMNA 3436/4885POLB 2626/4885
US-20190269674-A1 ROR-GAMMA MODULATORS RORB, RORC, RORA SIGMAR1 1215/4885LMNA 2990/4885POLB 2301/4885

“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.