SCHEMBL4853075

SCHEMBL4853075

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
LMNA P02545 5/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 2/20 0.46
CCR1 P32246 2/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SLC6A4 P31645 1/20 0.44
TACR1 P25103 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL3127029 0.94 MAPT (0.47) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3131931 0.90 TSHR (0.47) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3127021 0.90 MAPT (0.49) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3129411 0.90 TSHR (0.53) TSHRLMNAMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4849532 0.90 TSHR (0.47) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3123607 0.86 ALDH1A1 (0.55) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3135648 0.86 MAPT (0.53) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3123448 0.85 SLC6A4 (0.46) TSHRLMNAMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4849577 0.85 MAPT (0.52) TSHRLMNAMAPTSMN1; SMN2HTT
SCHEMBL3136611 0.84 TSHR (0.41) TSHRLMNAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2641/4885LMNA 2839/4885MAPT 1355/4885

“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.