SCHEMBL1309979

SCHEMBL1309979

CCCCOC1(c2ccccc2C)CN(C(=O)C(N)C(OC(=O)C(F)(F)F)c2ccc(OC)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 8/20 0.50
MC4R P32245 8/20 0.50
DPP4 P27487 5/20 0.38
DPP7 Q9UHL4 5/20 0.38
DPP8 Q6V1X1 1/20 0.37
APP P05067 1/20 0.35
GRIN2B Q13224 1/20 0.32
CACNA1A O00555 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB1 Q02641 1/20 0.31
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL1309977 0.86 MC1R (0.56) MC1RMC4RDPP4DPP7DPP8
Trifluoroacetic Acid SCHEMBL1310217 0.81 MC1R (0.57) MC1RMC4RDPP4DPP7DPP8
Trifluoroacetic Acid SCHEMBL1312510 0.80 MC1R (0.55) MC1RMC4RDPP4DPP7DPP8
SCHEMBL2148946 0.78 MC1R (0.58) MC1RMC4RAPPGRIN2B
SCHEMBL1311385 0.78 MC1R (0.49) MC1RMC4RDPP7APPHRH2
Hydrochloric Acid SCHEMBL1310496 0.78 MC1R (0.60) MC1RMC4RDPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1310494 0.78 MC1R (0.60) MC1RMC4RDPP4DPP7DPP8
SCHEMBL1310191 0.78 MC1R (0.49) MC1RMC4RHRH2HRH1
SCHEMBL1310043 0.76 MC1R (0.55) MC1RMC4RAPPGRIN2BCACNA2D1
SCHEMBL16445460 0.76 MC1R (0.71) MC1RMC4RAPPGRIN2B

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
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed
US-9630949-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-04-25 US disclosed
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-12 US disclosed
US-8871187-B2 Oxoazetidine derivatives, process for the preparation thereof and use thereon in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-28 US disclosed
US-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 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 (2 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-20110274638-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREON IN HUMAN MEDICINE AND IN COSMETICS CYP2D6, CYP51A1, CYP2C19 MC1R 326/4885MC4R 1479/4885DPP4 3470/4885
US-20150045559-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS CYP51A1, TYR, CYP2C19 MC1R 195/4885MC4R 873/4885DPP4 2255/4885

“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.