SCHEMBL4239583

SCHEMBL4239583

O=C1C2CCCN2C(=O)N1CCCCBr

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 4/20 0.66
LMNA P02545 1/20 0.57
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
RAD52 P43351 1/20 0.53
RECQL P46063 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR1A P08908 4/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL4248531 0.95 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5739981 0.83 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5739138 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5738713 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5739237 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5740313 0.79 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5739863 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL4244997 0.76 HTR1A (0.48) HTR1A
SCHEMBL9380400 0.71 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LMNAKDM4EMEN1
SCHEMBL5745908 0.71 HTR1A (0.52) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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 SMN1; SMN2 1400/4885ALDH1A1 671/4885LMNA 2526/4885

“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.