SCHEMBL16738639

SCHEMBL16738639

CC(C)[C@H](NCc1cc(Cl)ccc1Cl)C(=O)N1CCN(C2CC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 20/20 0.57

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
SCHEMBL16750384 1.00 GPBAR1 (0.57) GPBAR1
SCHEMBL16738638 0.90 GPBAR1 (0.59) GPBAR1
SCHEMBL16738617 0.83 GPBAR1 (0.57) GPBAR1
SCHEMBL16750385 0.83 GPBAR1 (0.57) GPBAR1
SCHEMBL16750474 0.83 GPBAR1 (0.59) GPBAR1
SCHEMBL16750386 0.82 GPBAR1 (0.60) GPBAR1
SCHEMBL16738602 0.82 GPBAR1 (0.60) GPBAR1
SCHEMBL16738506 0.77 GPBAR1 (0.64) GPBAR1
SCHEMBL15079328 0.76 GPBAR1 (0.65) GPBAR1
SCHEMBL16738395 0.75 GPBAR1 (0.59) 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 1 patent. 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

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 46/4885

“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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