SCHEMBL4245768

SCHEMBL4245768

Cc1cc(OC2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c2cccc(F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
SCN1A P35498 3/20 0.46
SCN8A Q9UQD0 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.43
CCR2 P41597 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5526683 0.92 SCN1A (0.50) SCN1ASCN8ASMN1; SMN2KDM4EROCK1
SCHEMBL8108269 0.89 RAB9A (0.47) NPC1RAB9ASCN1ASCN8ATP53
SCHEMBL8085163 0.88 SCN1A (0.47) SCN1ASCN8ASMN1; SMN2ROCK1ROCK2
SCHEMBL8100160 0.88 HTR1A (0.45) SCN1ASCN8AMEN1KMT2AROCK1
SCHEMBL4246391 0.87 SCN1A (0.42) SCN1ASCN8ASMN1; SMN2HRH3GAA
SCHEMBL8104062 0.86 ACHE (0.48) SCN1ASCN8AMEN1KMT2A
SCHEMBL8097670 0.84 CCR3 (0.43) MEN1KMT2A
SCHEMBL8102253 0.84 HTR1A (0.47) SCN1ASCN8AKDM4EALDH1A1MAOB
SCHEMBL8095680 0.82 PDE4B (0.46) SCN1ASCN8AKDM4EMEN1ALDH1A1
SCHEMBL5530200 0.82 SMN1; SMN2 (0.50) SCN1ASCN8ASMN1; SMN2KDM4EROCK1

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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
US-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-01-22 US disclosed
WO-2009000085-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-31 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-20090023773-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS TRPV1, TRPV2, TRPA1 NPC1 1874/4885RAB9A 2269/4885SCN1A 105/4885

“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.