SCHEMBL3127021

SCHEMBL3127021

CNCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3ccc(OC)c(OC)c3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
LMNA P02545 5/20 0.47
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
POLB P06746 3/20 0.45
SOAT1 P35610 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TACR1 P25103 2/20 0.42
THRB P10828 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
SCHEMBL4853075 0.90 TSHR (0.49) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL3131931 0.89 TSHR (0.47) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL3127029 0.89 MAPT (0.47) MAPTLMNATSHRSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4849532 0.88 TSHR (0.47) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL3129232 0.87 MAPT (0.53) MAPTLMNASMN1; SMN2HTTSLC6A4
Hydrochloric Acid SCHEMBL4846324 0.87 MAPT (0.52) MAPTLMNASMN1; SMN2HTTSLC6A4
SCHEMBL3136603 0.82 MAPT (0.41) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL3136611 0.81 TSHR (0.41) MAPTLMNATSHRSMN1; SMN2HTT
SCHEMBL3136110 0.80 SLC6A4 (0.48) MAPTLMNATSHRHTTSLC6A4
SCHEMBL3129411 0.80 TSHR (0.53) MAPTLMNATSHRSMN1; 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 MAPT 1355/4885LMNA 2839/4885TSHR 2641/4885

“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.