SCHEMBL6803515

SCHEMBL6803515

Cn1cccc1C(NCc1ccc(O)cc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
MAOB P27338 2/20 0.39
CTSS P25774 1/20 0.39
ACHE P22303 2/20 0.38
BACE1 P56817 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
BCHE P06276 1/20 0.37
KMT2A Q03164 2/20 0.36
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL6804384 0.74 CTSS (0.41) ITGB3ITGB1ITGAVITGA5CTSS
SCHEMBL7181514 0.73 RAB9A (0.50) ITGB3ITGB1ITGAVITGA5NPC1
SCHEMBL9087858 0.73 RAB9A (0.50) ITGB3ITGB1ITGAVITGA5NPC1
SCHEMBL6799563 0.73 KMT2A (0.48) CTSSNPC1RAB9AKMT2AMEN1
SCHEMBL6802479 0.72 CTSS (0.43) CTSSACHEBACE1NPC1RAB9A
SCHEMBL6807685 0.71 NPC1 (0.41) ITGB3ITGB1ITGAVITGA5NPC1
SCHEMBL6802803 0.70 CTSS (0.41) ITGB3ITGB1ITGAVITGA5CTSS
SCHEMBL6802536 0.68 NPC1 (0.41) ITGB3ITGB1ITGAVITGA5ACHE
SCHEMBL3862351 0.64 HRH3 (0.72) ACHEBACE1NPC1RAB9ABCHE
SCHEMBL23023176 0.64 EPHX2 (0.50) ITGB3ITGB1ITGAVITGA5CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR ITGB3 4232/4885ITGB1 4140/4885ITGAV 4388/4885

“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.