SCHEMBL4245064

SCHEMBL4245064

C[C@H]1CN(c2ccccc2)CCN1CCCCN1C(=O)C2CCCN2C1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
RAD52 P43351 1/20 0.54
RECQL P46063 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTR1A P08908 2/20 0.53
DRD2 P14416 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
SCHEMBL4245062 1.00 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4242625 0.87 DRD2 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4242630 0.87 DRD2 (0.51) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4239985 0.86 DRD2 (0.50) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4239981 0.86 DRD2 (0.50) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4244768 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4244771 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4244759 0.80 HTR1A (0.55) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4244762 0.80 HTR1A (0.55) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4247793 0.80 HTR1A (0.55) 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 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 SMN1; SMN2 1400/4885ALDH1A1 671/4885KDM4E 3602/4885

“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.