SCHEMBL16738472

SCHEMBL16738472

CC(Br)C(=O)N1CCN(C2CC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 20/20 0.51
▸ CHRM5 P08912 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ TSPO P30536 1/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL15933941 0.80 GPBAR1 (0.59) GPBAR1
SCHEMBL27988819 0.80 GPBAR1 (0.54) GPBAR1
Hydrochloric Acid SCHEMBL27988803 0.79 GPBAR1 (0.53) GPBAR1
SCHEMBL30910058 0.78 SIGMAR1 (0.53) GPBAR1
SCHEMBL26091834 0.78 SIGMAR1 (0.53) GPBAR1
SCHEMBL29220800 0.77 BRD4 (0.43) GPBAR1
SCHEMBL30910160 0.77 BRD4 (0.43) GPBAR1
SCHEMBL15060098 0.75 GPBAR1 (0.51) GPBAR1CHRM5SLC6A2TSPOGPR183
SCHEMBL30910095 0.75 MEN1 (0.40) —
SCHEMBL30379039 0.75 BRD4 (0.47) —

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 46/4885CHRM5 86/4885SLC6A2 328/4885

“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.

Send feedback