SCHEMBL1309331

SCHEMBL1309331

CCC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALOX15 P16050 1/20 0.60
ATM Q13315 1/20 0.60
SLC18A3 Q16572 1/20 0.52
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
TACR1 P25103 1/20 0.51
GPR119 Q8TDV5 1/20 0.47
OPRM1 P35372 5/20 0.46
SLC22A1 O15245 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
KCNH2 Q12809 1/20 0.46
CCR5 P51681 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL972474 0.87 TSHR (0.65) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL2964196 0.85 TSHR (0.59) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL13543984 0.85 TSHR (0.64) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL16130068 0.85 OPRM1 (0.67) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL6543780 0.84 TSHR (0.63) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL6543160 0.84 TSHR (0.57) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL971790 0.83 TSHR (0.65) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL1309812 0.82 SLC18A3 (0.60) SLC18A3OPRD1OPRK1OPRM1SLC22A1
SCHEMBL5415030 0.82 TSHR (0.60) TSHRALOX15ATMOPRD1OPRK1
SCHEMBL6543685 0.82 TSHR (0.70) TSHRALOX15ATMOPRD1OPRK1

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 TSHR 30/4885ALOX15 638/4885ATM 3528/4885

“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.