SCHEMBL4246451

SCHEMBL4246451

CC1CN(c2cccc3[nH]cnc23)CCN1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTR1A P08908 2/20 0.45
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PRKCQ Q04759 3/20 0.38
PRKCD Q05655 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4247449 1.00 DRD2 (0.50) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4246449 1.00 DRD2 (0.50) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL23122852 0.82 DRD2 (0.49) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL3185289 0.80 PRKCQ (0.42) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL23124233 0.80 DRD2 (0.52) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL3289559 0.80 DRD2 (0.60) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL4247455 0.80 MKNK1 (0.39) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL4246453 0.80 MKNK1 (0.39) ALDH1A1LMNAPRKCQPRKCDHTR2C
SCHEMBL23122915 0.79 DRD2 (0.46) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL23122627 0.79 DRD2 (0.48) DRD2DRD4DRD3HTR1AHTR7

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-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US disclosed
EP-1830854-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS Schwarz Pharma, s.l. (ES) 2007-09-12 EP disclosed
WO-2006069993-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS SCHWARZ PHARMA S.L. (ES) 2006-07-06 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-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C DRD2 214/4885DRD4 427/4885DRD3 387/4885

“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.