SCHEMBL694950

SCHEMBL694950

O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.73
GAA P10253 2/20 0.73
HTT P42858 1/20 0.73
TNF P01375 1/20 0.70
HIF1A Q16665 2/20 0.67
EPAS1 Q99814 2/20 0.67
LMNA P02545 1/20 0.65
KMT2A Q03164 1/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 1/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 1/20 0.63
PKM P14618 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
HPGD P15428 1/20 0.62
CYP1A2 P05177 1/20 0.62

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
SCHEMBL28663251 0.87 RAB9A (0.76) RAB9AGAAHTTTNFLMNA
SCHEMBL22079996 0.87 RAB9A (0.76) RAB9AGAAHTTTNFLMNA
SCHEMBL28300862 0.86 BTK (0.68) RAB9AHIF1AEPAS1LMNAKMT2A
SCHEMBL13683732 0.86 TNF (0.75) RAB9AGAAHTTTNFLMNA
SCHEMBL13211852 0.86 TNF (0.75) RAB9AGAAHTTTNFLMNA
SCHEMBL28247816 0.86 TNF (0.71) RAB9AGAAHTTTNFHIF1A
SCHEMBL10238323 0.86 CYP2C9 (0.60) RAB9AGAAHTTTNFHIF1A
SCHEMBL17740375 0.85 RAB9A (0.76) RAB9AGAAHTTTNFLMNA
SCHEMBL14409557 0.84 TNF (0.73) RAB9AGAAHTTTNFHIF1A
SCHEMBL7222507 0.83 LMNA (0.82) RAB9AGAAHTTLMNAKMT2A

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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) UNIVERSITY OF KANSAS (US) 2024-02-29 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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-20240067600-A1 SMALL MOLECULE INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION PORE (mtPTP) MTCH2, TIMM50, TIMM10 RAB9A 1640/4885GAA 2047/4885HTT 777/4885

“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.