SCHEMBL3133328

SCHEMBL3133328

COc1ccc(N2CCN(CC(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.55
LMNA P02545 6/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
GAA P10253 3/20 0.50
OPRM1 P35372 3/20 0.50
OPRL1 P41146 3/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR1 P32246 1/20 0.46

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
SCHEMBL3132053 0.93 TSHR (0.55) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3133375 0.91 TSHR (0.54) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3138573 0.90 MEN1 (0.53) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3140085 0.88 SMN1; SMN2 (0.55) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3127147 0.88 MAPT (0.54) ALDH1A1TSHRLMNAMAPTMEN1
Hydrochloric Acid SCHEMBL4853192 0.87 KDM4E (0.56) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3131752 0.86 OPRM1 (0.48) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3135594 0.85 OPRL1 (0.53) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3135283 0.84 MEN1 (0.60) ALDH1A1TSHRLMNAMAPTMEN1
SCHEMBL3129411 0.81 TSHR (0.53) ALDH1A1TSHRLMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699778-B1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-07-14 EP disclosed
US-7423039-B2 (4-phenylpiperazin-1-yl)acylpiperidine derivatives, preparation thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
US-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1699778-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2006-09-13 EP disclosed
WO-2005054227-A1 (4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-06-16 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-20070021609-A1 4-PHENYLPIPERAZIN-1-YL)ACYLPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND APPLICATION OF SAME IN THERAPEUTICS AGPAT5, DNPEP, AGPAT2 ALDH1A1 161/4885TSHR 2641/4885LMNA 2839/4885

“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.