SCHEMBL4252076

SCHEMBL4252076

CCC1CN(c2cccc3ccccc23)CCN1CCCCN1C(=O)C2CCCN2C1=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.72
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL4252077 1.00 HTR1A (0.72) HTR1ASMN1; SMN2
SCHEMBL4245221 0.80 DRD2 (0.53) HTR1ASMN1; SMN2
SCHEMBL4245225 0.80 DRD2 (0.53) HTR1ASMN1; SMN2
SCHEMBL4244771 0.78 SMN1; SMN2 (0.57) HTR1ASMN1; SMN2
SCHEMBL4244768 0.78 SMN1; SMN2 (0.57) HTR1ASMN1; SMN2
SCHEMBL4244762 0.76 HTR1A (0.55) HTR1ASMN1; SMN2
SCHEMBL4244759 0.76 HTR1A (0.55) HTR1ASMN1; SMN2
SCHEMBL4247793 0.76 HTR1A (0.55) HTR1ASMN1; SMN2
SCHEMBL4247789 0.76 HTR1A (0.55) HTR1ASMN1; SMN2
SCHEMBL4246441 0.75 HTR1A (0.65) HTR1A

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 2 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 claimed
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US 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 HTR1A 1/4885SMN1; SMN2 1400/4885

“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.