SCHEMBL4244997

SCHEMBL4244997

O=C1C2CCCN2C(=O)CN1CCCCBr

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48

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
SCHEMBL17866942 0.80 HTR1A (0.45) HTR1A
SCHEMBL4239583 0.76 SMN1; SMN2 (0.66) HTR1A
SCHEMBL1357740 0.73 HTR1A (0.44) HTR1A
SCHEMBL4247902 0.71 HTR1A (0.79) HTR1A
SCHEMBL4248531 0.71 SMN1; SMN2 (0.63) HTR1A
SCHEMBL1358461 0.71 KMT2A (0.40) HTR1A
SCHEMBL13207957 0.71 KMT2A (0.40) HTR1A
SCHEMBL27668969 0.70 HTR1A (0.78) HTR1A
SCHEMBL31435145 0.70 THRB (0.55) HTR1A
SCHEMBL31632729 0.67 ALOX5 (0.40)

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-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
EP-1674103-A1 Arylpiperazine derivatives and use thereof as 5-HT1A receptor ligands Cepa Schwarz Pharma s.l. (ES) 2006-06-28 EP 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 1/4885

“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.