SCHEMBL7525671

SCHEMBL7525671

CC(C)c1cc(-c2ccccc2)c2c(n1)OCCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
TNIK Q9UKE5 4/20 0.39
TACR1 P25103 11/20 0.38
ADRB2 P07550 1/20 0.37
FPR1 P21462 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GLP1R P43220 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
GPR35 Q9HC97 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL4513882 0.88 ROCK2 (0.44) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL7778436 0.87 ROCK2 (0.42) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL7783684 0.87 ROCK2 (0.41) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL7697384 0.85 ROCK2 (0.40) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL6794050 0.85 ROCK2 (0.44) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL6794717 0.85 ROCK2 (0.42) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL6793859 0.84 ROCK2 (0.43) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL6794230 0.84 ROCK2 (0.43) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL6795924 0.84 ROCK2 (0.43) ROCK2ROCK1TNIKTACR1ADRB2
SCHEMBL6790363 0.84 ROCK2 (0.42) ROCK2ROCK1TNIKTACR1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN 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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 ROCK2 1761/4885ROCK1 1349/4885TNIK 2301/4885

“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.