SCHEMBL2250281

SCHEMBL2250281

CC(C)(C)CN1CCC(c2cc(-c3cc(Cl)cc(Cl)c3)nn2Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 14/20 0.43
▸ PRCP P42785 1/20 0.43
▸ GIPR P48546 8/20 0.42
▸ CNR1 P21554 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37

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
SCHEMBL2250997 0.90 GCGR (0.45) GCGRPRCPGIPRCYP2C9CYP3A4
SCHEMBL2667897 0.87 GCGR (0.60) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL2251290 0.87 GCGR (0.45) GCGRPRCPGIPRCYP2C9CYP3A4
SCHEMBL2667850 0.83 GCGR (0.40) GCGRPRCPGIPRCYP2C9CYP3A4
SCHEMBL2252405 0.83 GCGR (0.46) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL13003505 0.80 GAA (0.53) GCGRPRCPGIPRCNR1MEN1
SCHEMBL2255802 0.80 MEN1 (0.48) GCGRGIPRCNR1MEN1KMT2A
SCHEMBL13748622 0.77 GCGR (0.47) GCGRGIPRCYP2C9CYP3A4CYP2C8
SCHEMBL2254697 0.76 MAPT (0.47) GCGRGIPRMEN1MAPTKMT2A
SCHEMBL2667902 0.75 GCGR (0.63) GCGRGIPRCYP2C9CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989475-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 — — US disclosed
US-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2009-08-27 — — US disclosed
US-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 — — US disclosed
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2006-04-20 — — 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 (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-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GLP1R, GCGR, GPR119 GCGR 2/4885PRCP 834/4885GIPR 4/4885
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885PRCP 834/4885GIPR 4/4885

“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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