SCHEMBL2129213

SCHEMBL2129213

CN(Cc1ccc(C(=O)O)cc1)c1ncc(N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.50
▸ TRPM8 Q7Z2W7 16/20 0.47
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ EGFR P00533 1/20 0.39
▸ CSF1R P07333 1/20 0.39

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
SCHEMBL2131238 0.87 CSF1R (0.43) NR1H4CSF1R
SCHEMBL15630537 0.80 TRPM8 (0.51) NR1H4TRPM8
SCHEMBL2129436 0.72 CSF1R (0.43) NR1H4CSF1R
SCHEMBL27667297 0.70 PTGER4 (0.47) NR1H4TRPM8
SCHEMBL11564854 0.70 TRPM8 (0.44) NR1H4TRPM8EGFRCSF1R
SCHEMBL11565561 0.70 HCAR3 (0.66) RXRARXRBRXRG
SCHEMBL2129386 0.69 LMNA (0.44) NR1H4
SCHEMBL10766037 0.69 MEN1 (0.58) TRPM8RXRARXRBRXRG
SCHEMBL10373059 0.68 RXRA (0.58) RXRARXRBRXRG
SCHEMBL11564474 0.67 HCAR3 (0.54) TRPM8RXRARXRBRXRG

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511813-B Heterocyclic FXR binding compounds PHENEX PHARMACEUTICALS AG 2012-12-12 — — CN disclosed
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 — — EP disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 — — US disclosed
CN-101511813-A Heterocyclic FXR binding compounds PHENEX PHARMACEUTICALS AG (DE) 2009-08-19 — — CN disclosed
EP-2084147-A1 HETEROCYCLIC FXR BINDING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2009-08-05 — — EP disclosed
WO-2008025540-A1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2008-03-06 — — WO 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-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885TRPM8 456/4885RXRA 40/4885

“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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