SCHEMBL16738457

SCHEMBL16738457

O=C(N1CCN(C2CC2)c2ccccc21)C1(CO)CC1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 20/20 0.49

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
SCHEMBL16738389 0.88 GPBAR1 (0.51) GPBAR1
SCHEMBL16738518 0.83 GPBAR1 (0.46) GPBAR1
SCHEMBL16738524 0.82 GPBAR1 (0.49) GPBAR1
SCHEMBL16738559 0.81 GPBAR1 (0.50) GPBAR1
SCHEMBL16738532 0.80 GPBAR1 (0.50) GPBAR1
SCHEMBL15060085 0.80 GPBAR1 (0.47) GPBAR1
Hydrochloric Acid SCHEMBL16738598 0.80 GPBAR1 (0.49) GPBAR1
SCHEMBL16738533 0.76 GPBAR1 (0.45) GPBAR1
SCHEMBL16738417 0.76 GPBAR1 (0.57) GPBAR1
SCHEMBL16738479 0.76 GPBAR1 (0.58) 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 46/4885

“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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