SCHEMBL4241279

SCHEMBL4241279

CCC1CN(c2cccc3ccccc23)CCN1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.55
HTR5A P47898 2/20 0.55
HTR1A P08908 2/20 0.55
HTR2A P28223 2/20 0.55
CYP2D6 P10635 2/20 0.55
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
CYP1A2 P05177 1/20 0.55
NCF1 P14598 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR7 P34969 1/20 0.55
MTOR P42345 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL4241274 1.00 HTR6 (0.55) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL6551557 0.86 PRKCQ (0.44) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL6573778 0.83 HTR1A (0.51) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL4247868 0.82 HTR6 (0.61) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL4244446 0.82 HTR6 (0.61) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL4244450 0.82 HTR6 (0.61) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL5331948 0.78 HTR1A (0.40) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL14355725 0.78 HTR1A (0.40) HTR6HTR5AHTR1AHTR2ACYP2D6
SCHEMBL8346145 0.75 HTR1A (0.43) HTR6HTR5AHTR1AHTR2ACYP2D6
Propane SCHEMBL27410088 0.75 HTR6 (0.84) HTR6HTR5AHTR1AHTR2ACYP2D6

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 4 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
CN-101087610-A Arylpiperazine derivatives and their use as 5-HT1AUse of receptor ligands SCHWARZ PHARMA S L (ES) 2007-12-12 CN 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 HTR6 12/4885HTR5A 2/4885HTR1A 1/4885

“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.