SCHEMBL20425007

SCHEMBL20425007

CN1CCN(c2cccc(CC(=O)O)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.64
▸ ITGA2B P08514 3/20 0.64
▸ AGXT P21549 1/20 0.58
▸ ADRA2C P18825 2/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PLOD2 O00469 1/20 0.50
▸ PLOD3 O60568 1/20 0.50
▸ PLOD1 Q02809 1/20 0.50
▸ TMEM97 Q5BJF2 3/20 0.49
▸ SIGMAR1 Q99720 3/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR1E P28566 1/20 0.49

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
SCHEMBL28739636 0.98 ITGB3 (0.62) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL17890851 0.87 AGXT (0.57) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL5790195 0.87 AGXT (0.61) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL16880373 0.86 ITGB3 (0.64) ITGB3ITGA2BAGXTNPC1RAB9A
SCHEMBL23256404 0.85 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL5790197 0.84 AGXT (0.61) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL29589898 0.84 AGXT (0.58) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL15710135 0.84 AGXT (0.58) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL17420453 0.82 AGXT (0.56) ITGB3ITGA2BAGXTADRA2CNPC1
SCHEMBL6583384 0.82 ITGB3 (0.64) ITGB3ITGA2BAGXTADRA2CPLOD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482832-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2025-01-01 — — EP disclosed
CN-119053587-A 5- [7- (3, 4-Dihydro-1H-isoquinoline-2-carbonyl) -1,2,3,4 tetrahydroisoquinolin-6-yl ] -1H-pyrrole-3-carboxamide derivatives, pharmaceutical compositions containing same and use thereof as pro-apoptotic agents 法国施维雅药厂 2024-11-29 — — CN disclosed
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 — — CN disclosed
EP-3573961-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2023-10-25 — — EP disclosed
EP-3573961-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2023-10-25 — — EP disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 — — WO disclosed
US-10987351-B2 RORgamma modulators and uses thereof GENFIT (FR) 2021-04-27 — — US disclosed
US-10987351-B2 RORgamma modulators and uses thereof GENFIT (FR) 2021-04-27 — — US disclosed
WO-2018138354-A1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2018-08-02 — — 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 (1 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-10987351-B2 RORgamma modulators and uses thereof RORB, RORC, RORA ITGB3 1439/4885ITGA2B 862/4885AGXT 3059/4885

“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.

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