SCHEMBL16748110

SCHEMBL16748110

CCC(Cc1ccccc1)C(=O)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.49
OPRD1 P41143 1/20 0.48
USP7 Q93009 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL23866840 0.84 HSD17B10 (0.69) CHRM1HSD17B10CYP1A2USP7ALDH1A1
SCHEMBL16748055 0.84 HSD17B10 (0.69) CHRM1HSD17B10CYP1A2USP7ALDH1A1
SCHEMBL17011279 0.83 HSD17B10 (0.52) CHRM1HSD17B10CYP1A2USP7PPARG
SCHEMBL16748058 0.82 HSD17B10 (0.71) CHRM1HSD17B10USP7SLC6A2SLC6A4
SCHEMBL25903271 0.82 HSD17B10 (0.49) CHRM1HSD17B10SLC6A2SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL8934375 0.81 HSD17B10 (0.69) CHRM1HSD17B10USP7SLC6A2SLC6A4
SCHEMBL6164614 0.79 HDAC8 (0.64) OPRD1
SCHEMBL7567649 0.79 HDAC8 (0.64) OPRD1
SCHEMBL7566120 0.79 HDAC8 (0.64) OPRD1
SCHEMBL16026526 0.79 CYP2C19 (0.47) OPRD1SIGMAR1HPGDGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108953-B2 Quinoline derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2015-08-18 US disclosed
US-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2015-05-28 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-20150148344-A1 QUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD7, BRD3 CHRM1 828/4885HSD17B10 3786/4885CYP1A2 3706/4885

“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.