SCHEMBL6526804

SCHEMBL6526804

CCCn1cncc1CSc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
SLC29A1 Q99808 1/20 0.31
TLR8 Q9NR97 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL21558283 0.92 TLR8 (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21558286 0.88 ALDH1A1 (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22534195 0.85 CYP1A2 (0.30) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5656048 0.82 CYP1A2 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21558438 0.82 NPC1 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3458773 0.80 ALDH1A1 (0.30) ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL5657489 0.80 ADORA2B (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL21558545 0.79 MAPT (0.30) RAB9AGAAMAPT
SCHEMBL21558432 0.78 NPC1 (0.35) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22534196 0.77 TSHR (0.37) MEN1KMT2AALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3567028-B1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST MEDSHINE DISCOVERY INC (CN) 2022-01-05 EP disclosed
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist MEDSHINE DISCOVERY, INC. (CN) 2021-10-26 US disclosed
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist MEDSHINE DISCOVERY, INC. (CN) 2020-07-16 US disclosed
EP-3567028-A1 BIPHENYL COMPOUND AS CCR2/CCR5 RECEPTOR ANTAGONIST Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF TOBIRA THERAPEUTICS, INC. (US) 2019-02-07 US disclosed
US-20050107606-A1 Process for producing optically active sulfoxide derivative TATKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US disclosed
EP-1484322-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2004-12-08 EP 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 (4 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-20050107606-A1 Process for producing optically active sulfoxide derivative CCR5, OPRM1, CXCR4 MEN1 4693/4885KMT2A 4599/4885NPC1 3198/4885
US-11155523-B2 Biphenyl compound as CCR2/CCR5 receptor antagonist CCR2, CCR5, CCRL2 MEN1 4798/4885KMT2A 2726/4885NPC1 409/4885
US-20200223801-A1 Biphenyl Compound As CCR2/CCR5 Receptor Antagonist CCR2, CCR5, CCRL2 MEN1 4798/4885KMT2A 2726/4885NPC1 409/4885
US-20190038604-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF CCR5, CCR1, CCR2 MEN1 3639/4885KMT2A 2249/4885NPC1 1126/4885

“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.