SCHEMBL1815095

SCHEMBL1815095

NCCc1ccc2c(n1)NCCC2

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 15/20 0.51
ITGB3 P05106 14/20 0.51
CXCR4 P61073 5/20 0.47
ITGA2B P08514 1/20 0.47
ITGB6 P18564 4/20 0.45
ITGB5 P18084 4/20 0.45
ITGB8 P26012 2/20 0.45
ITGB1 P05556 1/20 0.45

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
Hydrochloric Acid SCHEMBL1817002 0.98 ITGAV (0.50) ITGAVITGB3CXCR4ITGA2BITGB6
Hydrochloric Acid SCHEMBL6424120 0.98 ITGAV (0.50) ITGAVITGB3CXCR4ITGA2BITGB6
SCHEMBL4716711 0.91 ITGAV (0.55) ITGAVITGB3ITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL20481372 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL29416354 0.89 ITGAV (0.57) ITGAVITGB3ITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL6421354 0.89 ITGAV (0.54) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL3221247 0.89 ITGAV (0.57) ITGAVITGB3ITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL20481260 0.88 ITGAV (0.56) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL21329134 0.88 ITGAV (0.56) ITGAVITGB3ITGA2BITGB6ITGB5
SCHEMBL7122150 0.88 ITGAV (0.56) ITGAVITGB3ITGA2BITGB6ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2022-12-27 US disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-08-05 US disclosed
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-10-20 US disclosed
US-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2020-06-04 US disclosed
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2019-09-03 US disclosed
EP-3527569-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA FOR USE IN TREATING DRYE EYE Vitae Pharmaceuticals, LLC (US) 2019-08-21 EP disclosed
EP-3102576-B1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS INC (US) 2019-04-17 EP disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2010057101-A2 COMPOUNDS USEFUL AS HIV BLOCKERS SCHERING CORPORATION (US) 2010-05-20 WO disclosed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
EP-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 US disclosed
US-6514964-B1 Treating diseases, conditions or disorders mediated by integrin receptors, such as vitronectin and fibronectin receptors AMGEN INC. 2003-02-04 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 (7 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-20200172535-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA ITGAV 4250/4885ITGB3 4239/4885CXCR4 920/4885
US-10399976-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA ITGAV 4350/4885ITGB3 4395/4885CXCR4 1338/4885
US-20210238174-A1 DIHYDROPYRROLOPYRIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA ITGAV 4250/4885ITGB3 4239/4885CXCR4 920/4885
US-10807980-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA ITGAV 4250/4885ITGB3 4239/4885CXCR4 920/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP ITGAV 1886/4885ITGB3 144/4885CXCR4 57/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 ITGAV 4423/4885ITGB3 4278/4885CXCR4 799/4885
US-11535614-B2 Dihydropyrrolopyridine inhibitors of ROR-gamma RORC, RORB, RORA ITGAV 4250/4885ITGB3 4239/4885CXCR4 920/4885

“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.