SCHEMBL4333513

SCHEMBL4333513

Cc1cccc(C(C)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
GRM5 P41594 3/20 0.45
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
PKM P14618 2/20 0.39
CYP2C19 P33261 2/20 0.39
THPO P40225 2/20 0.39

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
SCHEMBL6559740 0.87 KMT2A (0.41) KMT2AKDM4ECYP2D6HIF1ALMNA
SCHEMBL23055145 0.83 TRPV3 (0.41) HTTRECQLCCR1CCR8NPC1
SCHEMBL23287487 0.83 HTT (0.39) HTTRECQLGRM5CCR1CCR8
SCHEMBL18930049 0.79 HTT (0.52) HTTRECQLGRM5CCR1CCR8
SCHEMBL8989811 0.78 KMT2A (0.43) KMT2AKDM4EGRM4HIF1ANOS3
SCHEMBL12674419 0.78 S1PR2 (0.47) KMT2ATRPV3HTR2CTLR8SLC6A2
SCHEMBL25482249 0.78 HTT (0.41) HTTRECQLGRM5CCR1CCR8
SCHEMBL9501924 0.78 IRAK4 (0.38) HTTRECQLGRM5CCR1CCR8
SCHEMBL102150 0.76 CCR1 (0.50) HTTRECQLGRM5CCR1CCR8
SCHEMBL28903882 0.76 TRPV3 (0.35) KMT2AMEN1LMNATRPV3HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884070-A PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS 葛兰素史克知识产权第二有限公司 2018-11-23 CN disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
WO-2009143404-A1 PIPERAZINE METABOTROPIC GLUTAMATE RECEPTOR 5 (MGLUR5) NEGATIVE ALLOSTERIC MODULATORS FOR ANXIETY/DEPRESSION WYETH (US) 2009-11-26 WO 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 HTT 1727/4885RECQL 3890/4885GRM5 1/4885

“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.