SCHEMBL17847396

SCHEMBL17847396

CCOCOc1ccc(C#N)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.38
SSTR4 P31391 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
KIF11 P52732 1/20 0.34
CTSS P25774 1/20 0.34
S1PR1 P21453 1/20 0.34
AR P10275 3/20 0.33
CYP2A6 P11509 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL6902107 0.80 ALDH1A1 (0.40) PTGDR2CYP2C19LMNAMAPK1HTT
SCHEMBL5089148 0.78 TRPV4 (0.42) TRPV4PTGDR2S1PR1ARCYP2A6
SCHEMBL17847407 0.78 PTGDR2 (0.57) PTGDR2LMNAMAPK1HTT
SCHEMBL10211666 0.77 AR (0.49) TRPV4KIF11ARLMNA
SCHEMBL16962740 0.77 PTGDR2 (0.63) MRGPRX4SSTR4PTGDR2CYP2C19
SCHEMBL5372934 0.77 MRGPRX4 (0.55) MRGPRX4PTGDR2CTSSMAPK1
SCHEMBL22140277 0.76 TRPV4 (0.61) TRPV4KIF11CTSSS1PR1AR
SCHEMBL31314271 0.75 TRPV4 (0.46) TRPV4S1PR1ARCYP2A6
SCHEMBL10088897 0.75 CTSS (0.55) TRPV4MRGPRX4SSTR4CTSSAR
SCHEMBL5091309 0.72 PTGDR2 (0.45) TRPV4PTGDR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250115-B Compounds, synthesis method thereof and application thereof in medicines and cosmetics 盖尔德马研究及发展公司 2021-11-05 CN disclosed
EP-3233806-B1 HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN MEDICINE AS WELL AS IN COSMETICS GALDERMA RES & DEV (FR) 2021-10-27 EP disclosed
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-05-12 US disclosed
US-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-11-30 US disclosed
EP-3233806-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-10-25 EP disclosed
WO-2016097626-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 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-20170342040-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS RARA, RARB, RARG TRPV4 797/4885MRGPRX4 278/4885SSTR4 2765/4885
US-10647688-B2 Compounds, synthesis method thereof and use of same in medicine and in cosmetics RARA, RARB, RARG TRPV4 729/4885MRGPRX4 316/4885SSTR4 2360/4885

“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.