SCHEMBL3136611

SCHEMBL3136611

COc1ccc(N2CCN(CC(=O)N3CCC(CC(N)Cc4ccco4)(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
HTR4 Q13639 1/20 0.39
TACR1 P25103 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
SOAT1 P35610 2/20 0.37

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
SCHEMBL3136603 0.86 MAPT (0.41) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL4853075 0.84 TSHR (0.49) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL3127029 0.83 MAPT (0.47) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL3131931 0.81 TSHR (0.47) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL3127021 0.81 MAPT (0.49) TSHRMAPTLMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4849532 0.81 TSHR (0.47) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL5704744 0.77 MAPT (0.45) MAPTLMNASMN1; SMN2HTTTACR1
SCHEMBL3129411 0.75 TSHR (0.53) TSHRMAPTLMNASMN1; SMN2HTT
SCHEMBL3129315 0.74 POLB (0.47) MAPTLMNASMN1; SMN2HTTTACR1
SCHEMBL3123607 0.71 ALDH1A1 (0.55) TSHRMAPTLMNASMN1; SMN2HTT

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 TSHR 2641/4885MAPT 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.