SCHEMBL15601943

SCHEMBL15601943

CCOC(=O)CN(CC(=O)OCC)C(=O)c1cccc(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.51
▸ CYP4A11 Q02928 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEP1B Q16820 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PPARG P37231 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PPARA Q07869 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL10739309 0.90 HPGD (0.54) CYP4F2CYP4A11LMNANPC1RAB9A
SCHEMBL9402690 0.83 HPGD (0.48) CYP4F2CYP4A11LMNANPC1RAB9A
SCHEMBL15601880 0.82 PPARG (0.52) CYP4F2CYP4A11LMNANPC1RAB9A
SCHEMBL15592779 0.80 NPC1 (0.43) CYP4F2CYP4A11LMNANPC1RAB9A
SCHEMBL8828473 0.80 HPGD (0.67) LMNANPC1RAB9ASMN1; SMN2TDP1
SCHEMBL10735855 0.80 CA12 (0.47) LMNANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9402668 0.79 KMT2A (0.56) LMNASMN1; SMN2MAPK1TSHRKMT2A
SCHEMBL129801 0.78 CYP4F2 (0.71) CYP4F2CYP4A11NPC1RAB9ASMN1; SMN2
SCHEMBL21821613 0.78 ALDH1A1 (0.49) NPC1SMN1; SMN2TDP1HPGDL3MBTL1
SCHEMBL13818522 0.77 TP53 (0.51) LMNANPC1RAB9ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 — — US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 — — 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 CYP4F2 1209/4885CYP4A11 487/4885LMNA 3285/4885

“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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