SCHEMBL17593299

SCHEMBL17593299

Fc1ccc(OC2CCCCNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
ROCK1 Q13464 6/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HTR1A P08908 2/20 0.48
SLC6A2 P23975 2/20 0.48
ROCK2 O75116 2/20 0.46
PRKX P51817 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
KCNH2 Q12809 1/20 0.45
EPHX2 P34913 1/20 0.44
LTA4H P09960 1/20 0.42

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
SCHEMBL15650257 0.95 CHRNB2 (0.55) CHRNB2CHRNA4ROCK1HTR2CHTR2B
SCHEMBL19582779 0.95 CHRNB2 (0.55) CHRNB2CHRNA4ROCK1HTR2CHTR2B
Hydrochloric Acid SCHEMBL15649585 0.93 CHRNB2 (0.54) CHRNB2CHRNA4ROCK1HTR2CHTR2B
SCHEMBL4700578 0.88 HTR2C (0.59) CHRNB2CHRNA4ROCK1HTR2CHTR2B
SCHEMBL4125994 0.88 HTR2C (0.59) CHRNB2CHRNA4ROCK1HTR2CHTR2B
SCHEMBL3380245 0.88 HTR2C (0.59) CHRNB2CHRNA4ROCK1HTR2CHTR2B
Hydrochloric Acid SCHEMBL28313668 0.86 HTR2C (0.58) CHRNB2CHRNA4ROCK1HTR2CHTR2B
Hydrochloric Acid SCHEMBL28313667 0.86 HTR2C (0.58) CHRNB2CHRNA4ROCK1HTR2CHTR2B
SCHEMBL19599782 0.83 CHRNB2 (0.60) CHRNB2CHRNA4ROCK1HTR1ASLC6A2
SCHEMBL16242402 0.82 EPHX2 (0.58) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators BRISTOL=MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators BRISTOL=MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-11-08 US disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
EP-3191453-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040225-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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 (3 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-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 CHRNB2 445/4885CHRNA4 354/4885ROCK1 2818/4885
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 CHRNB2 445/4885CHRNA4 354/4885ROCK1 2818/4885
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators GPR88, GPR55, GPR180 CHRNB2 445/4885CHRNA4 354/4885ROCK1 2818/4885

“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.