SCHEMBL785583

SCHEMBL785583

CC(C(=O)O)(c1ccccc1)N1CCC(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.49
APOB P04114 9/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
FPR2 P25090 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL785584 1.00 MTTP (0.49) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL786048 1.00 MTTP (0.49) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL5153696 0.84 APOB (0.52) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL6700839 0.82 NAMPT (0.58) MTTPAPOBKDM4EGAAMAPT
SCHEMBL2589154 0.82 HIF1A (0.59) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL786257 0.82 GAA (0.41) MTTPAPOBKDM4EGAAALDH1A1
SCHEMBL785011 0.82 GAA (0.41) MTTPAPOBKDM4EGAAALDH1A1
Acetic Acid SCHEMBL2586104 0.81 APOB (0.55) MTTPAPOB
SCHEMBL904380 0.80 MTTP (0.52) MTTPAPOBFPR2
SCHEMBL904381 0.80 MTTP (0.52) 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 MTTP 1/4885APOB 48/4885KDM4E 635/4885

“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.