SCHEMBL760607

SCHEMBL760607

O=C(O)CCc1ccc2c(n1)NCCC2

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGA2B P08514 2/20 0.64
ITGB5 P18084 7/20 0.57
ITGB6 P18564 7/20 0.57
ITGB8 P26012 5/20 0.57
ITGB1 P05556 1/20 0.54

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
SCHEMBL6262063 0.92 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6424214 0.91 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL29416400 0.91 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL15397316 0.91 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6425719 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL21329747 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6422102 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL20487381 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL6422552 0.89 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5ITGB6
Hydrochloric Acid SCHEMBL6792186 0.88 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025130549-A1 LIGAND TARGETING INTEGRIN αVβ6, CONJUGATE AND COMPOSITION, AND USES THEREOF 北京炫景瑞医药科技有限公司 2025-06-26 WO disclosed
CN-120192313-A Ligand, conjugate, composition and use of targeting integrin alpha v beta 6 北京炫景瑞医药科技有限公司 2025-06-24 CN disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
CN-117642396-A Alpha V beta 6 and alpha V beta 1 integrin inhibitors and uses thereof 戴斯分子SV有限公司 2024-03-01 CN disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 US disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-05-12 US disclosed
EP-3947394-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS Université de Paris (FR) 2022-02-09 EP disclosed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP disclosed
US-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed
US-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 WO disclosed
EP-1506779-A1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 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 (4 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885ITGA2B 3/4885
US-20220144853-A1 IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCL12, CXCR1 ITGB3 887/4885ITGAV 934/4885ITGA2B 484/4885
US-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ITGB3 1031/4885ITGAV 3024/4885ITGA2B 1849/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB3 957/4885ITGAV 1756/4885ITGA2B 1033/4885

“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.