SCHEMBL4772674

SCHEMBL4772674

COCC#Cc1cncc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.44
BACE1 P56817 1/20 0.36
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PGK1 P00558 1/20 0.32
CYP2A6 P11509 1/20 0.32
RAB9A P51151 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
SCHEMBL9948053 0.80 GRM5 (0.47) GRM5HTTMAPTSMN1; SMN2CYP2A6
SCHEMBL4158644 0.80 GRM5 (0.40) GRM5HTTMAPTSMN1; SMN2RAB9A
SCHEMBL3722709 0.77 GRM5 (0.48) GRM5HTTMAPTSMN1; SMN2CYP2A6
SCHEMBL3665917 0.76 CYP2A6 (0.54) GRM5HTTMAPTSMN1; SMN2CYP2A6
SCHEMBL3802122 0.76 GRM5 (0.44) GRM5HTTMAPTSMN1; SMN2CYP2A6
SCHEMBL931245 0.74 GRM5 (0.51) GRM5BACE1HTTMAPTSMN1; SMN2
SCHEMBL25864597 0.72 CYP3A4 (0.41) MAPTCYP2A6
SCHEMBL4738215 0.71 APP (0.49) GRM5
SCHEMBL1477377 0.71 GRM5 (0.49) GRM5HTTCYP2A6RAB9A
SCHEMBL8486570 0.70 GRM5 (0.47) GRM5HTTCYP2A6RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242973-B2 Chromane compounds COMENTIS, INC. (US) 2016-01-26 US disclosed
US-20150225386-A1 CHROMANE COMPOUNDS COMENTIS, INC. 2015-08-13 US disclosed
EP-2854797-A2 CHROMANE COMPOUNDS Comentis, Inc. (US) 2015-04-08 EP disclosed
US-8975415-B2 Chromane compounds COMENTIS, INC. (US) 2015-03-10 US disclosed
US-20140179695-A1 CHROMANE COMPOUNDS COMENTIS, INC. (US) 2014-06-26 US disclosed
WO-2013181202-A2 CHROMANE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2013-12-05 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 GRM5 463/4885BACE1 4323/4885HTT 2446/4885
US-20140179695-A1 CHROMANE COMPOUNDS BACE1, BACE2, APP GRM5 1656/4885BACE1 1/4885HTT 385/4885
US-20150225386-A1 CHROMANE COMPOUNDS BACE1, BACE2, APP GRM5 993/4885BACE1 1/4885HTT 423/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GRM5 376/4885BACE1 4623/4885HTT 2151/4885

“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.