SCHEMBL10141013

SCHEMBL10141013

Cc1ccc2c(c1)CN(C)Cc1nc(C(C)C)[nH]c1-2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.35
SLC6A4 P31645 11/20 0.35
SLC6A3 Q01959 11/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TNK2 Q07912 1/20 0.31

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
SCHEMBL10118797 0.87 NPSR1 (0.36) KDM4E
SCHEMBL15889025 0.83 RAB9A (0.36) SLC6A2SLC6A4SLC6A3RAB9ANPC1
SCHEMBL13561501 0.83 KDM4E (0.44) RAB9AKDM4ECYP2D6ALDH1A1POLB
SCHEMBL10141032 0.82 TYMS (0.39) RAB9ANPC1KDM4EALDH1A1POLB
SCHEMBL10141035 0.80 PARP10 (0.36) RAB9AKDM4EALDH1A1POLBGAA
SCHEMBL10141036 0.80 PARP10 (0.36) RAB9AKDM4EALDH1A1POLBGAA
SCHEMBL10141068 0.79 RAB9A (0.33) SLC6A2SLC6A4SLC6A3RAB9ANPC1
SCHEMBL10141352 0.76 NPSR1 (0.36)
SCHEMBL10141772 0.72 CYP19A1 (0.35) KDM4EALDH1A1MAPTCYP1A2
SCHEMBL12327993 0.71 PGR (0.34) RAB9AKDM4EALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 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 (2 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SLC6A2 2574/4885SLC6A4 3027/4885SLC6A3 2487/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 SLC6A2 2559/4885SLC6A4 3468/4885SLC6A3 2932/4885

“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.