SCHEMBL15345102

SCHEMBL15345102

Cc1ccc2c(c1)c(C1CCN(C)CC1)nn2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.39
BRD4 O60885 3/20 0.39
CREBBP Q92793 3/20 0.39
HRH1 P35367 2/20 0.39
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
DRD2 P14416 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HTR6 P50406 1/20 0.36
QDPR P09417 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
CACNA1H O95180 1/20 0.35

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
SCHEMBL15345097 0.91 BRD4 (0.44) CNR1BRD4CREBBPCACNA1H
SCHEMBL15345100 0.88 CYP1A2 (0.41) CNR1CCNT1CDK9HTR6QDPR
SCHEMBL17446850 0.84 HTT (0.41) CNR1BRD4CREBBPDRD2CACNA1H
SCHEMBL15341787 0.82 CNR1 (0.46) CNR1BRD4CREBBPHTR6
SCHEMBL10739155 0.80 DDB1 (0.50)
Hydrochloric Acid SCHEMBL10395739 0.78 DDB1 (0.48)
SCHEMBL18561353 0.77 CNR1 (0.45) CNR1CACNA1H
SCHEMBL18561360 0.76 NMT1 (0.41) CNR1HRH1HTR3EHTR3BHTR3A
SCHEMBL15344112 0.74 CREBBP (0.44) CNR1BRD4CREBBPCACNA1H
SCHEMBL30896811 0.74 DDB1 (0.46) CNR1BRD4CREBBPCACNA1H

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 6 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-9682940-B2 Indazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US 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 (3 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 CNR1 1391/4885BRD4 1928/4885CREBBP 401/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CNR1 1391/4885BRD4 1928/4885CREBBP 401/4885
US-20170057925-A1 INDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 CNR1 1/4885BRD4 370/4885CREBBP 1023/4885

“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.