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SCHEMBL10105804

SCHEMBL10105804

Cc1c(Oc2ccc(C#N)cc2Cl)ncnc1OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.50
▸ GPR119 Q8TDV5 8/20 0.49
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ICMT O60725 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ ERBB3 P21860 2/20 0.36
▸ ERBB4 Q15303 2/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ ESRRA P11474 1/20 0.35

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
SCHEMBL10134275 0.86 AR (0.46) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10134292 0.86 AR (0.53) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10134077 0.84 AR (0.55) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10120565 0.84 AR (0.51) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10134325 0.82 AR (0.50) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL12320203 0.82 AR (0.52) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL14805912 0.79 AR (0.55) ARSLC6A4SLC6A3KCNH2ICMT
SCHEMBL10120505 0.75 AR (0.50) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL10134273 0.75 AR (0.42) ARGPR119SLC6A4SLC6A3KCNH2
SCHEMBL21611616 0.74 AR (0.49) ARGPR119SLC6A4SLC6A3KCNH2

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-8580807-B2 Bicyclic piperidine and piperazine derivatives as GPCR modulators for the treatment of obesity, diabetes and other metabolic disorders MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 — — US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 — — US disclosed
US-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS MERCK SHARP & DOHME LLC 2012-01-26 — — 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-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS GPR119, GPR55, GPR4 AR 354/4885GPR119 1/4885SLC6A4 1689/4885
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R AR 263/4885GPR119 1/4885SLC6A4 1736/4885

“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.