SCHEMBL15345100

SCHEMBL15345100

Cc1ccc2c(C3CCN(C)CC3)nn(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.41
GRM4 Q14833 3/20 0.41
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HTR6 P50406 2/20 0.36
QDPR P09417 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
CNR1 P21554 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL15345102 0.88 CNR1 (0.39) CCNT1CDK9HTR6QDPRHRH4
SCHEMBL15341794 0.82 HTR6 (0.40) CYP1A2GRM4DDB1CRBNHTR6
SCHEMBL10739155 0.80 DDB1 (0.50) CYP1A2GRM4DDB1CRBN
SCHEMBL15345097 0.78 BRD4 (0.44) CYP1A2GRM4DDB1CRBNCNR1
Hydrochloric Acid SCHEMBL10395739 0.78 DDB1 (0.48) CYP1A2GRM4DDB1CRBN
SCHEMBL17446850 0.75 HTT (0.41) CNR1
SCHEMBL15341787 0.73 CNR1 (0.46) HTR6CNR1
SCHEMBL9830106 0.73 DRD2 (0.40) CYP1A2GRM4DDB1CRBN
SCHEMBL15345101 0.73 HRH4 (0.52) DDB1CRBNHRH4HRH3
SCHEMBL13525309 0.72 HTR2A (0.56) HTR6HRH3

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
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-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 (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-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP1A2 807/4885GRM4 3418/4885DDB1 3492/4885

“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.