SCHEMBL8087944

SCHEMBL8087944

Cc1cc(OC2CCN(Cc3ccccc3-c3nnn[nH]3)CC2)c2cc(O)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
HTR1D P28221 7/20 0.37
HTR1A P08908 5/20 0.34
HTR1B P28222 5/20 0.34
ROCK2 O75116 1/20 0.33
CCR2 P41597 1/20 0.33
ROCK1 Q13464 1/20 0.33
CHEK2 O96017 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NCF1 P14598 1/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL8096925 0.90 HTR1D (0.37) HTR1DHTR1AHTR1BROCK2CCR2
SCHEMBL8096594 0.90 HTR1D (0.40) HTR1DHTR1AHTR1BROCK2CCR2
SCHEMBL4242109 0.90 CHRM4 (0.40) HTR1DHTR1AHTR1BROCK2CCR2
SCHEMBL8096424 0.83 CHRM4 (0.41) HTR1DHTR1AHTR1B
SCHEMBL8096419 0.83 CHRM4 (0.41) HTR1DHTR1AHTR1B
SCHEMBL8094478 0.82 MEN1 (0.40) HTR1DMEN1KMT2A
SCHEMBL8100440 0.82 PDE4B (0.35) HTR1DMEN1KMT2ADHODH
SCHEMBL4242852 0.82 PDE4B (0.36) HTR1D
SCHEMBL8094627 0.80 CHEK2 (0.44) HTR1DHTR1AHTR1BROCK2CCR2
SCHEMBL4249271 0.80 SMN1; SMN2 (0.49) GRIN1GRIN2BHTR1DHTR1AHTR1B

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 GRIN1 109/4885GRIN2B 80/4885HTR1D 483/4885

“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.