SCHEMBL1310555

SCHEMBL1310555

CCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2OC(=O)C(F)(F)F)NC(=O)CCc2cnc[nH]2)C1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.80
MC4R P32245 9/20 0.65
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
P2RY12 Q9H244 1/20 0.36
TACR1 P25103 1/20 0.33
SLC6A5 Q9Y345 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CCR2 P41597 2/20 0.32
CAPN1 P07384 1/20 0.31
RYR2 Q92736 1/20 0.31

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 SCHEMBL1310554 0.90 MC1R (0.92) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL2155532 0.89 MC1R (0.65) MC1RMC4RMC5RMC3RTACR1
SCHEMBL20450385 0.89 MC1R (1.00) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL1309721 0.82 MC1R (0.79) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL20450442 0.82 MC1R (0.79) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL1311385 0.81 MC1R (0.49) MC1RMC4R
SCHEMBL1310558 0.77 MC1R (0.69) MC1RMC4R
SCHEMBL2154492 0.77 MC1R (0.70) MC1RMC4RMC5RMC3RP2RY12
SCHEMBL20450363 0.75 MC1R (0.73) MC1RMC4RMC5RMC3R
SCHEMBL1311193 0.75 MC1R (0.73) MC1RMC4RMC5RMC3R

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 9 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 claimed
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 claimed
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 claimed
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 claimed
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 1479/4885MC5R 672/4885
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 873/4885MC5R 396/4885

“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.