SCHEMBL5628463

SCHEMBL5628463

CNCC1(c2cccc(C(F)(F)F)c2)CCN(C(=O)CN2CCN(c3nccs3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SCD O00767 1/20 0.41
TACR1 P25103 2/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
SRPK1 Q96SB4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
SOAT1 P35610 2/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL5628570 0.91 TACR1 (0.42) SCDTACR1ALDH1A1LMNAHSD17B10
SCHEMBL5628723 0.89 SLC6A4 (0.44) SLC6A4SCDTACR1ALDH1A1LMNA
SCHEMBL5632356 0.89 SLC6A2 (0.47) SLC6A4SLC6A3SCDTACR1ALDH1A1
Hydrochloric Acid SCHEMBL5628471 0.89 SLC6A4 (0.44) SLC6A4SCDTACR1ALDH1A1LMNA
SCHEMBL5630751 0.87 OPRM1 (0.47) SCDALDH1A1LMNAHSD17B10L3MBTL1
SCHEMBL5632492 0.85 SCD (0.42) SCDTACR1ALDH1A1LMNAHSD17B10
SCHEMBL5727717 0.84 SCD (0.43) SCDTACR1ALDH1A1LMNAHSD17B10
SCHEMBL3129232 0.84 MAPT (0.53) SLC6A4SLC6A3TACR1ALDH1A1LMNA
SCHEMBL2804840 0.84 SLC6A4 (0.47) SLC6A4SLC6A3TACR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL4846324 0.83 MAPT (0.52) SLC6A4SLC6A3TACR1ALDH1A1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US claimed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US claimed
US-7294628-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-13 US disclosed
US-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2006-07-27 US disclosed
EP-1513836-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 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-20060167007-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C2, NR3C1 SLC6A4 2182/4885SLC6A3 1275/4885SCD 4457/4885

“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.