SCHEMBL4245225

SCHEMBL4245225

CC[C@@H]1CN(c2cccc(OC)c2)CCN1CCCCN1C(=O)C2CCCN2C1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
HTR1A P08908 3/20 0.47
POLB P06746 1/20 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
SCHEMBL4245221 1.00 DRD2 (0.53) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4239981 0.88 DRD2 (0.50) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4239985 0.88 DRD2 (0.50) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4252076 0.80 HTR1A (0.72) SMN1; SMN2HTR1A
SCHEMBL4252077 0.80 HTR1A (0.72) SMN1; SMN2HTR1A
SCHEMBL4245062 0.77 SMN1; SMN2 (0.58) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4245064 0.77 SMN1; SMN2 (0.58) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4242630 0.76 DRD2 (0.51) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL4242625 0.76 DRD2 (0.51) DRD2SMN1; SMN2KMT2AALDH1A1KDM4E
SCHEMBL5739079 0.76 HTR1A (0.52) KMT2AALDH1A1KDM4EHTR1A

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 DRD2 214/4885SMN1; SMN2 1400/4885KMT2A 2567/4885

“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.