SCHEMBL786049

SCHEMBL786049

Cc1ccccc1[C@@H](C(=O)O)N1CCC(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MTTP P55157 14/20 0.46
▸ APOB P04114 9/20 0.46
▸ TRPV1 Q8NER1 1/20 0.44
▸ FPR2 P25090 2/20 0.44

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
SCHEMBL786248 1.00 KDM4E (0.47) KDM4EMTTPAPOBTRPV1FPR2
SCHEMBL904386 0.89 MTTP (0.52) MTTPAPOBFPR2
SCHEMBL904380 0.89 MTTP (0.52) MTTPAPOBFPR2
SCHEMBL904381 0.89 MTTP (0.52) MTTPAPOBFPR2
Hydrochloric Acid SCHEMBL2579600 0.88 MTTP (0.51) MTTPAPOBFPR2
Usistapide SCHEMBL29376869 0.84 NPY2R (0.62) MTTPAPOB
Usistapide SCHEMBL803531 0.84 NPY2R (0.62) MTTPAPOB
Usistapide SCHEMBL785394 0.84 NPY2R (0.62) MTTPAPOB
Usistapide SCHEMBL803532 0.84 NPY2R (0.62) MTTPAPOB
SCHEMBL12174424 0.84 MTTP (0.51) MTTPAPOBFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071660-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'(TRIFLUOROMETHYL)-2- BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2012-03-22 — — US claimed
EP-2435406-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE Janssen Pharmaceutica, N.V. (BE) 2012-04-04 — — EP disclosed
US-20120071660-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'(TRIFLUOROMETHYL)-2- BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2012-03-22 — — US disclosed
US-20120071660-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'(TRIFLUOROMETHYL)-2- BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2012-03-22 — — 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-20120071660-A1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'(TRIFLUOROMETHYL)-2- BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE MTTP, CETP, LIPC KDM4E 635/4885MTTP 1/4885APOB 48/4885

“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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