SCHEMBL15050232

SCHEMBL15050232

NC(=O)c1cc([CH]CCO)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.39
▸ PARP1 P09874 2/20 0.35
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ MAPK8 P45983 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ F10 P00742 1/20 0.32
▸ KCNA3 P22001 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ MAP2K2 P36507 2/20 0.32
▸ MAP2K1 Q02750 2/20 0.32
▸ PARP10 Q53GL7 2/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL12954647 0.82 DGAT1 (0.43) DGAT1CES2CES1CASP1PARP10
SCHEMBL5407287 0.75 DGAT1 (0.51) DGAT1CES2CES1HTR2AHTR2C
SCHEMBL14782316 0.73 PARP10 (0.50) PARP1F10PARP10PARP15ALDH1A1
SCHEMBL10002473 0.72 KEAP1 (0.39) DGAT1PARP1CES2CES1MAPK8
SCHEMBL8204116 0.70 PARP1 (0.42) DGAT1PARP1CES2CES1MAPK8
SCHEMBL366058 0.70 CES2 (0.68) DGAT1PARP1CES2CES1MAPK8
SCHEMBL29537903 0.70 CES2 (0.68) DGAT1PARP1CES2CES1MAPK8
SCHEMBL12481481 0.70 KMT2A (0.33) DGAT1MEN1KMT2A
SCHEMBL14785588 0.69 ALDH1A1 (0.45) PARP1CASP1ALDH1A1
SCHEMBL16649739 0.69 CES2 (0.32) CES2CES1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944606-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-04-17 — — US disclosed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 — — 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 (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-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 DGAT1 964/4885PARP1 771/4885CES2 2665/4885

“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.

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