SCHEMBL3123607

SCHEMBL3123607

NCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 6/20 0.55
LMNA P02545 3/20 0.55
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
TACR1 P25103 1/20 0.45
POLB P06746 1/20 0.45
OPRL1 P41146 1/20 0.44
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
EBP Q15125 1/20 0.43

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
SCHEMBL3135648 0.93 MAPT (0.53) ALDH1A1MAPTLMNASLC6A4KDM4E
Hydrochloric Acid SCHEMBL4849577 0.92 MAPT (0.52) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL3123448 0.88 SLC6A4 (0.46) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL4853075 0.86 TSHR (0.49) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL3129411 0.86 TSHR (0.53) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL5759141 0.85 ALDH1A1 (0.48) ALDH1A1MAPTLMNASLC6A4KDM4E
Hydrochloric Acid SCHEMBL4809634 0.84 ALDH1A1 (0.47) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL3136920 0.84 SLC6A4 (0.47) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL2809020 0.81 KDM4E (0.47) ALDH1A1MAPTLMNASLC6A4KDM4E
SCHEMBL5628723 0.81 SLC6A4 (0.44) ALDH1A1MAPTLMNASLC6A4KDM4E

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 3 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

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 161/4885MAPT 1355/4885LMNA 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.