SCHEMBL13134643

SCHEMBL13134643

N#Cc1ccc(N2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.43
DRD3 P35462 10/20 0.43
ALDH1A1 P00352 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CCR2 P41597 1/20 0.40
ABCB1 P08183 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.39
DRD4 P21917 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
THRB P10828 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL10049622 0.95 SIGMAR1 (0.42) DRD2DRD3ALDH1A1HRH3CCR2
SCHEMBL10049330 0.95 SIGMAR1 (0.42) DRD2DRD3ALDH1A1HRH3CCR2
SCHEMBL13134962 0.90 DRD4 (0.43) DRD2ALDH1A1HRH3CCR2DRD4
SCHEMBL13134919 0.90 DRD4 (0.43) DRD2ALDH1A1HRH3CCR2DRD4
SCHEMBL13876566 0.89 ESR1 (0.41) DRD2DRD3ALDH1A1HRH3CCR2
SCHEMBL11980190 0.88 CNR1 (0.42) DRD2DRD3ALDH1A1CCR2DRD4
SCHEMBL11958313 0.88 CNR1 (0.42) DRD2DRD3ALDH1A1CCR2DRD4
SCHEMBL13134878 0.87 DRD2 (0.49) DRD2DRD3ALDH1A1HRH3CCR2
SCHEMBL13440367 0.86 ALDH1A1 (0.48) ALDH1A1CCR2DRD4SIGMAR1
SCHEMBL11957744 0.84 CNR1 (0.42) CCR2DRD4SIGMAR1CHRM3

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
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
US-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS INTERVET INTERNATIONAL B.V. (NL) 2010-09-30 US disclosed
WO-2009005645-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 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-20100249144-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS CNR1, CNR2, GPR119 DRD2 154/4885DRD3 400/4885ALDH1A1 1510/4885

“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.