SCHEMBL3131977

SCHEMBL3131977

CCN(C)CC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
POLB P06746 4/20 0.48
ALDH1A1 P00352 5/20 0.47
TACR1 P25103 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 4/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
Hydrochloric Acid SCHEMBL4852931 0.99 MAPT (0.48) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL3135476 0.92 SLC6A2 (0.53) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL4852940 0.87 TACR1 (0.46) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL4852933 0.86 MAPT (0.47) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL3135648 0.86 MAPT (0.53) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL3129232 0.85 MAPT (0.53) MAPTPOLBALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4849577 0.85 MAPT (0.52) MAPTPOLBALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4846324 0.84 MAPT (0.52) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL3126354 0.83 TSHR (0.50) MAPTPOLBALDH1A1TACR1SMN1; SMN2
SCHEMBL4844573 0.83 MAPT (0.53) MAPTPOLBALDH1A1TACR1SMN1; SMN2

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 MAPT 1355/4885POLB 3194/4885ALDH1A1 161/4885

“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.