SCHEMBL6711014

SCHEMBL6711014

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
SLC18A3 Q16572 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SSTR1 P30872 3/20 0.44
SSTR3 P32745 3/20 0.44
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM4 P08173 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
SCHEMBL29409629 0.85 KMT2A (0.44) ALDH1A1LMNAMAPTSMN1; SMN2SSTR1
SCHEMBL22589628 0.85 KMT2A (0.44) ALDH1A1LMNAMAPTSMN1; SMN2SSTR1
SCHEMBL29881725 0.85 KMT2A (0.44) ALDH1A1LMNAMAPTSMN1; SMN2SSTR1
SCHEMBL6712704 0.84 FABP5 (0.44) SLC18A3ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL7138685 0.83 MAPT (0.65) ALDH1A1LMNAMAPTSMN1; SMN2SSTR1
SCHEMBL25279722 0.82 SSTR1 (0.39) SLC18A3ALDH1A1SSTR1SSTR3SIGMAR1
SCHEMBL28707687 0.82 KMT2A (0.41) ALDH1A1LMNAMAPTSMN1; SMN2SSTR1
SCHEMBL15747761 0.81 SMN1; SMN2 (0.58) LMNAMAPTSMN1; SMN2SIGMAR1HTT
SCHEMBL31372025 0.80 CYP1A2 (0.45) MAPTSSTR1SSTR3KMT2ACYP1A2
SCHEMBL13327274 0.78 POLB (0.52) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A

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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same PIERRE FABRE MEDICAMENT (FR) 2004-05-13 US disclosed
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same CBR3, CBR1, HCCS FAAH 2607/4885SLC18A3 2727/4885ALDH1A1 3031/4885

“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.