SCHEMBL6714778

SCHEMBL6714778

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc(CNc3ccc(N4CCNCC4)cc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
HTR6 P50406 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
STAT6 P42226 1/20 0.39
SIRT2 Q8IXJ6 6/20 0.38
LTA4H P09960 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6711176 0.77 LMNA (0.42) L3MBTL1ALDH1A1TSHRALOX12GAA
SCHEMBL6711285 0.77 MAPT (0.53) ALDH1A1ALOX12GAAMAPTALOX15
SCHEMBL8644544 0.77 CYP3A4 (0.43) SIRT2GAA
SCHEMBL6709635 0.77 MAPT (0.48) ALDH1A1ALOX12GAAMAPTMAPK1
SCHEMBL6715174 0.76 MAPT (0.54) L3MBTL1ALDH1A1ALOX12GAAMAPT
SCHEMBL6711131 0.76 MAPT (0.41) SIRT2L3MBTL1ALDH1A1TSHRALOX12
SCHEMBL6709642 0.75 HTR6 (0.44) HTR6L3MBTL1
SCHEMBL6449154 0.73 CHRM2 (0.45) SIGMAR1SIRT2LTA4HL3MBTL1ALDH1A1
SCHEMBL7838272 0.69 SIRT2 (0.41) SIRT2L3MBTL1ACHE
SCHEMBL6345609 0.68 SIRT2 (0.45) HTR6ADRB1SIRT2L3MBTL1USP2

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 KDM1A 2173/4885HTR6 432/4885HTR3E 2133/4885

“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.