SCHEMBL6859265

SCHEMBL6859265

O=C(O)CC1CN(c2ccccc2)c2cc(C(=O)NCCCCNc3ncc[nH]3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.46
ITGA2B P08514 17/20 0.46
ITGAV P06756 16/20 0.46
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAMPT P43490 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
SCHEMBL6854032 0.98 ITGB3 (0.46) ITGB3ITGA2BITGAVHTR1AADRA2A
SCHEMBL6853887 0.95 ITGB3 (0.51) ITGB3ITGA2BITGAVHTR1ANAMPT
SCHEMBL6859209 0.86 ITGB3 (0.45) ITGB3ITGA2BITGAVHTR1AADRA2A
SCHEMBL6860247 0.86 MAPT (0.36) ITGB3ITGA2BITGAVHTR1A
SCHEMBL6860516 0.85 MAPT (0.37) ITGB3ITGA2BITGAVHTR1A
SCHEMBL6853814 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVHTR1AADRA2A
SCHEMBL7705314 0.84 ITGB3 (0.45) ITGB3ITGA2BITGAVHTR1AADRA2A
SCHEMBL6853671 0.83 RORC (0.36) ITGB3ITGA2BITGAVHTR1A
SCHEMBL6859241 0.81 ITGB3 (0.50) ITGB3ITGA2BITGAVHTR1AADRA2A
SCHEMBL7711502 0.77 ITGB3 (0.41) ITGB3ITGA2BITGAVHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 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 (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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 ITGB3 3/4885ITGA2B 9/4885ITGAV 15/4885

“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.