SCHEMBL1309669

SCHEMBL1309669

CCCCOC1(c2ccccc2C)CN(OC(=O)C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 7/20 0.40
MC4R P32245 7/20 0.40
PDK2 Q15119 4/20 0.34
PKM P14618 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32

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
SCHEMBL1310335 0.89 PDK2 (0.34) MC1RMC4RPDK2CYP2C9CYP2C19
SCHEMBL14360488 0.86 L3MBTL1 (0.37) L3MBTL1
SCHEMBL1309421 0.85 MC4R (0.38) MC1RMC4RCYP2C9CYP2C19NPSR1
SCHEMBL1312434 0.82 CYP2C9 (0.37) MC1RMC4RCYP2C9CYP2C19NPSR1
Trifluoroacetic Acid SCHEMBL1309667 0.77 MC1R (0.39) MC1RMC4RPDK2CYP2C9CYP2C19
SCHEMBL1310191 0.76 MC1R (0.49) MC1RMC4RHRH1
SCHEMBL1311007 0.76 MC4R (0.42) MC1RMC4RPDK2CHRM2CHRM4
SCHEMBL1309979 0.74 MC1R (0.50) MC1RMC4RHRH1APPDPP8
SCHEMBL2161645 0.73 MC1R (0.43) MC1RMC4RAPP
Trifluoroacetic Acid SCHEMBL1310190 0.72 MC1R (0.48) MC1RMC4RHRH1

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 7 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
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN 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 (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 1479/4885PDK2 744/4885
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 873/4885PDK2 658/4885

“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.