SCHEMBL8088026

SCHEMBL8088026

Cc1cc(OC2CCN(Cc3ccccc3C#N)CC2)c2cccc(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
HTR3A P46098 2/20 0.40
HTR4 Q13639 2/20 0.40
HTR1A P08908 1/20 0.39
CYP3A4 P08684 3/20 0.39
DPP4 P27487 3/20 0.39
AR P10275 2/20 0.39
CHRM4 P08173 3/20 0.39
DCPS Q96C86 1/20 0.38
PDE4B Q07343 1/20 0.37
SCN1A P35498 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
ACHE P22303 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL13945390 0.90 AR (0.39) HTR2CHTR7HTR2BHTR3AHTR4
SCHEMBL8095680 0.90 PDE4B (0.46) HTR2CHTR7HTR2BHTR3AHTR4
SCHEMBL8102582 0.89 DPP4 (0.49) HTR7HTR2BHTR4CYP3A4DPP4
SCHEMBL13969375 0.86 HTR1D (0.42) HTR2CHTR7HTR2BHTR1ACYP3A4
SCHEMBL4241073 0.85 CHRM4 (0.42) CYP3A4DPP4CHRM4PDE4BACHE
SCHEMBL8092993 0.84 HTR2B (0.44) HTR2CHTR7HTR2BHTR3AHTR4
SCHEMBL5526683 0.84 SCN1A (0.50) SCN1ASCN8A
SCHEMBL4242392 0.84 CHRM4 (0.49) CYP3A4DPP4CHRM4
SCHEMBL8095861 0.83 KCNH2 (0.41) HTR2CHTR7HTR2BHTR3AHTR4
SCHEMBL8096573 0.83 CYP3A4 (0.40) HTR2CHTR2BCYP3A4DPP4CHRM4

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 HTR2C 305/4885HTR7 395/4885HTR2B 331/4885

“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.