SCHEMBL803703

SCHEMBL803703

Cc1ccc(-c2[nH]c3cc(C)ccc3c2C2CCCCC2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KIF11 P52732 2/20 0.38
HTR2A P28223 6/20 0.36
HTR2C P28335 5/20 0.36
KCNH2 Q12809 5/20 0.36
DRD2 P14416 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MC4R P32245 1/20 0.35
ALDH1A1 P00352 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ARF6 P62330 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
CCR3 P51677 1/20 0.33
SIRT1 Q96EB6 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
SCHEMBL14572871 0.85 KDM4E (0.43) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL12510265 0.85 NPC1 (0.32) NPC1RAB9AHTR2AHTR2CKCNH2
SCHEMBL771997 0.85 PARP1 (0.44) NPC1RAB9AKIF11KDM4EHSD17B10
Hydrochloric Acid SCHEMBL771482 0.84 PARP1 (0.43) NPC1RAB9AKIF11KDM4EHSD17B10
SCHEMBL772298 0.83 MEN1 (0.40) KDM4EALDH1A1
SCHEMBL31121975 0.83 MEN1 (0.40) KDM4EALDH1A1
SCHEMBL13886771 0.78 NPC1 (0.48) NPC1RAB9AKIF11HTR2AHTR2C
SCHEMBL803700 0.75 NPC1 (0.48) NPC1RAB9AKIF11HTR2AHTR2C
SCHEMBL10283176 0.75 ALDH1A1 (0.42) NPC1RAB9AKDM4EMC4RALDH1A1
SCHEMBL12510485 0.74 PDE5A (0.36) NPC1RAB9AKIF11CCR3

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPC1 1131/4885RAB9A 2410/4885KIF11 2609/4885

“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.