SCHEMBL6804384

SCHEMBL6804384

Cn1cnc(C(NCc2ccc(O)cc2)C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
CPB2 Q96IY4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.33
ACKR3 P25106 1/20 0.33
CPB1 P15086 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
CXCR3 P49682 1/20 0.32

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
SCHEMBL6802479 0.77 CTSS (0.43) CTSSNPC1RAB9AACHEBACE1
SCHEMBL6803515 0.74 ITGB3 (0.39) CTSSNPC1RAB9AITGB3ITGB1
SCHEMBL9087858 0.71 RAB9A (0.50) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL7181514 0.71 RAB9A (0.50) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL6799563 0.71 KMT2A (0.48) CTSSNPC1RAB9ATP53
SCHEMBL6802803 0.68 CTSS (0.41) CTSSNPC1RAB9AITGB3ITGB1
SCHEMBL6807685 0.67 NPC1 (0.41) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL6803422 0.66 CTSS (0.52) CTSSNPC1RAB9A
SCHEMBL6802536 0.66 NPC1 (0.41) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL6798043 0.66 OPRK1 (0.40) NPC1RAB9ATP53

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 CTSS 1081/4885CPB2 1994/4885NPC1 2721/4885

“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.