SCHEMBL15345129

SCHEMBL15345129

Cc1ccc2c(c1)nc(C)n2C1CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.62
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
GFER P55789 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
CCNT1 O60563 1/20 0.54
CDK9 P50750 1/20 0.54
PRKACA P17612 1/20 0.51
RPS6KB1 P23443 1/20 0.51
GSK3B P49841 1/20 0.51
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
CYP11B2 P19099 1/20 0.45
USP2 O75604 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL18731435 0.93 KDM4E (0.65) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1015559 0.92 KDM4E (0.57) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL12954964 0.92 KDM4E (0.57) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1015561 0.92 KDM4E (0.57) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL15345062 0.89 MCHR1 (0.56) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1013213 0.87 KDM4E (0.51) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1014447 0.87 KDM4E (0.51) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1013214 0.87 KDM4E (0.51) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1014445 0.87 KDM4E (0.51) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1013215 0.87 KDM4E (0.51) MCHR1KDM4EALDH1A1MAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MCHR1 3991/4885KDM4E 4221/4885ALDH1A1 355/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MCHR1 3991/4885KDM4E 4221/4885ALDH1A1 355/4885

“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.