SCHEMBL1310115

SCHEMBL1310115

CCC(=O)C1(C2CCCCC2)CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
HRH2 P25021 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL3091643 0.82 ALDH1A1 (0.35) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL1310084 0.80 EPHX1 (0.48) MEN1KMT2AEPHX2ALDH1A1MC4R
Hydrochloric Acid SCHEMBL28248145 0.79 SMN1; SMN2 (0.39) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL27840515 0.76 CYP3A4 (0.36) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL1309780 0.76 SIGMAR1 (0.39) CYP3A4TSHRABCB11LMNACYP1A2
Hydrochloric Acid SCHEMBL1309098 0.74 CYP3A4 (0.40) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL396844 0.73 EPHX1 (0.37) CYP3A4TSHRABCB11LMNACYP1A2
SCHEMBL6168147 0.72 ALDH1A1 (0.34) TSHRMEN1MAPK1KMT2AHSD11B1
SCHEMBL28784098 0.70 EPHX2 (0.41) CYP3A4TSHRCYP1A2CYP2D6CYP2C9
SCHEMBL1308169 0.70 EPHX1 (0.46) MEN1KMT2AEPHX2ALDH1A1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CYP3A4 1637/4885TSHR 30/4885ABCB11 3878/4885

“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.