SCHEMBL6807685

SCHEMBL6807685

CN(C)c1cccc(C(NCc2ccc(O)cc2)C2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
OPRM1 P35372 5/20 0.38
SLC6A4 P31645 1/20 0.37
KDR P35968 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 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
ACKR3 P25106 1/20 0.35

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
SCHEMBL6802803 0.72 CTSS (0.41) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL6803822 0.71 SOAT2 (0.38) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL6803515 0.71 ITGB3 (0.39) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL7181514 0.70 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDRITGB3
SCHEMBL9087858 0.70 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDRITGB3
SCHEMBL6802479 0.69 CTSS (0.43) NPC1RAB9AKDM4EALDH1A1
SCHEMBL10876725 0.69 BCHE (0.61) NPC1RAB9AKDM4EGFERSMN1; SMN2
SCHEMBL6802536 0.68 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1ITGB3
SCHEMBL6804384 0.67 CTSS (0.41) NPC1RAB9AITGB3ITGB1ITGAV
SCHEMBL6799563 0.66 KMT2A (0.48) NPC1RAB9AKDM4ESMN1; SMN2HTT

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 NPC1 2721/4885RAB9A 1163/4885KDM4E 3172/4885

“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.