SCHEMBL1309780

SCHEMBL1309780

CCC(=O)C1(C2CCCCC2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD1 P21728 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SCN1A P35498 1/20 0.39

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
Hydrochloric Acid SCHEMBL1309098 0.98 CYP3A4 (0.40) SIGMAR1CYP3A4TSHRCHRM5CHRM3
SCHEMBL1308768 0.87 CYP3A4 (0.38) SIGMAR1CYP3A4TSHRCHRM5CHRM3
Tert-Butyl Formate SCHEMBL27840516 0.85 CYP3A4 (0.34) SIGMAR1CYP3A4TSHRCHRM5CHRM3
SCHEMBL14085899 0.79 CYP2D6 (0.43) SIGMAR1CYP3A4TSHRCHRM5CHRM3
SCHEMBL1311224 0.79 CYP3A4 (0.52) SIGMAR1CYP3A4TSHRCHRM5CHRM3
SCHEMBL3097412 0.78 EPHX1 (0.41) SIGMAR1CYP3A4TSHRCHRM5CHRM3
Hydrochloric Acid SCHEMBL5729678 0.78 CYP3A4 (0.53) SIGMAR1CYP3A4TSHRCHRM5CHRM3
Hydrochloric Acid SCHEMBL6624641 0.77 EPHX1 (0.40) SIGMAR1CYP3A4TSHRCHRM5CHRM3
SCHEMBL476374 0.77 KMT2A (0.40) SIGMAR1CYP3A4TSHRCHRM5CHRM3
SCHEMBL6516176 0.76 CYP1A2 (0.37) SIGMAR1CYP3A4TSHRCHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860924-A Melanocortin receptor modulators, process for preparing same and use there in human medicine and cosmetics GALDERMA RES & DEV 2015-08-26 CN disclosed
CN-102203082-B Melanocortin receptor modulators, processes for preparing them and their use in human medicine and cosmetics GALDERMA RES & DEV 2015-04-29 CN disclosed
US-8877968-B2 Melanocortin receptor modulators, process for preparing them and use there in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-11-04 US disclosed
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 EP disclosed
US-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 US disclosed
CN-102203082-A Melanocortin receptor modulators, processes for preparing them and their use in human medicine and cosmetics GALDERMA RES & DEV 2011-09-28 CN disclosed
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 EP disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO 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-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R SIGMAR1 782/4885CYP3A4 1637/4885TSHR 30/4885

“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.