SCHEMBL16738475

SCHEMBL16738475

O=C(COc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 19/20 0.65
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55

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
SCHEMBL16738387 0.83 GPBAR1 (0.60) GPBAR1CYP3A4CYP2C9
SCHEMBL16738479 0.83 GPBAR1 (0.58) GPBAR1CYP3A4CYP2C9
SCHEMBL2334094 0.79 GPBAR1 (1.00) GPBAR1CYP3A4CYP2C9
SCHEMBL2330300 0.79 GPBAR1 (0.79) GPBAR1CYP3A4CYP2C9
SCHEMBL28814950 0.78 GPBAR1 (0.52) GPBAR1CYP3A4CYP2C9
SCHEMBL15060484 0.76 GPBAR1 (0.68) GPBAR1CYP3A4CYP2C9
SCHEMBL15933796 0.76 GPBAR1 (0.70) GPBAR1CYP3A4CYP2C9
SCHEMBL2331886 0.76 GPBAR1 (0.93) GPBAR1CYP3A4CYP2C9
SCHEMBL2215165 0.75 GPBAR1 (0.75) GPBAR1CYP3A4CYP2C9
SCHEMBL2216480 0.74 GPBAR1 (1.00) GPBAR1

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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 — — US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 — — US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 — — 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR GPBAR1 46/4885CYP3A4 3157/4885CYP2C9 2550/4885

“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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