SCHEMBL4239985

SCHEMBL4239985

COc1cccc(N2CCN(CCCN3C(=O)C4CCCN4C3=O)[C@@H](C)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HTR1A P08908 3/20 0.46

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
SCHEMBL4239981 1.00 DRD2 (0.50) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4242625 0.89 DRD2 (0.51) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4242630 0.89 DRD2 (0.51) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4245221 0.88 DRD2 (0.53) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4245225 0.88 DRD2 (0.53) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4245062 0.86 SMN1; SMN2 (0.58) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL4245064 0.86 SMN1; SMN2 (0.58) DRD2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL5739079 0.78 HTR1A (0.52) ALDH1A1KMT2AKDM4EHTR1A
SCHEMBL4239961 0.77 HTR1A (0.53) ALDH1A1POLBSMN1; SMN2HTR1A
SCHEMBL4239956 0.77 HTR1A (0.53) ALDH1A1POLBSMN1; SMN2HTR1A

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 1 patent. 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

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 DRD2 214/4885ALDH1A1 671/4885POLB 3248/4885

“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.