SCHEMBL8095863

SCHEMBL8095863

Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.52
HTR1B P28222 4/20 0.52
HTR1A P08908 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 1/20 0.47
ROCK1 Q13464 2/20 0.47
NCF1 P14598 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SCN1A P35498 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
ROCK2 O75116 1/20 0.44
CCR2 P41597 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
KDM1A O60341 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44

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
SCHEMBL13945372 0.93 SMN1; SMN2 (0.52) HTR1DHTR1BHTR1ASMN1; SMN2ALDH1A1
SCHEMBL5529129 0.91 HTR1D (0.52) HTR1DHTR1BHTR1ASMN1; SMN2NCF1
SCHEMBL5532963 0.89 NCF1 (0.58) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL13945359 0.89 HTR1D (0.51) HTR1DHTR1BHTR1ASMN1; SMN2NCF1
SCHEMBL5531973 0.88 HTR1D (0.50) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL8087949 0.85 SCN1A (0.45) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL14437441 0.83 NCF1 (0.51) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5529815 0.83 NCF1 (0.51) HTR1DHTR1BHTR1ASMN1; SMN2ALDH1A1
SCHEMBL5532956 0.83 MCHR1 (0.53) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1
SCHEMBL5532724 0.82 SMN1; SMN2 (0.49) HTR1DHTR1BHTR1ASMN1; SMN2ROCK1

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 HTR1D 483/4885HTR1B 354/4885HTR1A 390/4885

“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.