SCHEMBL4245020

SCHEMBL4245020

C[C@H]1CN(c2ccc([N+](=O)[O-])c3ccccc23)CCN1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.60
CTSB P07858 3/20 0.60
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 6/20 0.56
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3620476 1.00 AR (0.60) ARCTSBALDH1A1LMNAMAPT
SCHEMBL3619196 0.85 AR (0.61) ARCTSBMAPTHTTGAA
SCHEMBL3619197 0.85 AR (0.61) ARCTSBMAPTHTTGAA
SCHEMBL6195201 0.84 MAPT (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL6197167 0.84 MAPT (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL6196541 0.84 MAPT (0.60) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL2711827 0.81 CTSB (0.75) ARCTSBALDH1A1LMNAMAPT
SCHEMBL3622442 0.79 AR (0.49) ARCTSBALDH1A1LMNAMAPT
SCHEMBL4247507 0.78 HTR2C (0.45) ALDH1A1LMNAMAPT
SCHEMBL4247502 0.78 HTR2C (0.45) ALDH1A1LMNAMAPT

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 3 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
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 AR 380/4885CTSB 743/4885ALDH1A1 671/4885

“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.