SCHEMBL4814200

SCHEMBL4814200

O=c1[nH]ncc(Cl)c1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.68
▸ TRPC5 Q9UL62 1/20 0.63
▸ DRD4 P21917 5/20 0.54
▸ DRD2 P14416 3/20 0.54
▸ DRD3 P35462 3/20 0.54
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SIGMAR1 Q99720 3/20 0.49
▸ HTT P42858 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.48
▸ GAA P10253 1/20 0.46

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
SCHEMBL20817933 0.84 TRPC5 (0.65) ALDH1A1TRPC5KMT2A
SCHEMBL4813164 0.81 ALDH1A1 (1.00) ALDH1A1TRPC5DRD4DRD2DRD3
SCHEMBL25694641 0.77 TRPC5 (1.00) ALDH1A1TRPC5DRD4DRD2DRD3
SCHEMBL20817817 0.75 TRPC5 (0.67) ALDH1A1TRPC5MAPTGAA
SCHEMBL20818147 0.75 ADRB2 (0.59) ALDH1A1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL20817984 0.74 TRPC5 (0.91) ALDH1A1TRPC5DRD4DRD2DRD3
SCHEMBL20831815 0.72 TRPC5 (0.74) TRPC5
SCHEMBL20831206 0.72 HTR7 (0.51) ALDH1A1TRPC5DRD4DRD2DRD3
SCHEMBL11000972 0.70 DRD4 (0.53) ALDH1A1TRPC5DRD4DRD2DRD3
SCHEMBL20831484 0.70 TRPC5 (0.75) ALDH1A1TRPC5HTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468368-B2 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI AVENTIS (FR) 2008-12-23 — — US disclosed
EP-1513835-B1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2006-08-16 — — EP disclosed
US-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-08-11 — — US disclosed
EP-1513835-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 — — EP disclosed
WO-2003104225-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-20050176722-A1 Piperazinylacylpiperidine derivatives, their preparation and therapeutic use thereof NR5A2, NR3C1, CBR1 ALDH1A1 445/4885TRPC5 652/4885DRD4 238/4885

“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.

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