SCHEMBL8096925

SCHEMBL8096925

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.37
HTR1A P08908 5/20 0.34
HTR1B P28222 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA2A P08913 1/20 0.34
MCHR1 Q99705 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
ROCK2 O75116 1/20 0.33
CCR2 P41597 1/20 0.33
ROCK1 Q13464 1/20 0.33
DRD2 P14416 4/20 0.33
DRD3 P35462 4/20 0.33
DRD4 P21917 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EHMT2 Q96KQ7 2/20 0.33
NCF1 P14598 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
SCHEMBL8096594 0.90 HTR1D (0.40) HTR1DHTR1AHTR1BMEN1KMT2A
SCHEMBL8087944 0.90 GRIN1 (0.38) HTR1DHTR1AHTR1BMEN1KMT2A
SCHEMBL4242109 0.90 CHRM4 (0.40) HTR1DHTR1AHTR1BROCK2CCR2
SCHEMBL8096424 0.85 CHRM4 (0.41) HTR1DHTR1AHTR1BTDP1
SCHEMBL8096419 0.83 CHRM4 (0.41) HTR1DHTR1AHTR1BMAPT
SCHEMBL8094478 0.82 MEN1 (0.40) HTR1DMEN1KMT2ADRD2DRD3
SCHEMBL8100440 0.82 PDE4B (0.35) HTR1DMEN1KMT2AEHMT2HTR7
SCHEMBL4242852 0.82 PDE4B (0.36) HTR1DEHMT2HTR2CHTR7HTR2B
SCHEMBL8094627 0.80 CHEK2 (0.44) HTR1DHTR1AHTR1BROCK2CCR2
SCHEMBL5532724 0.80 SMN1; SMN2 (0.49) HTR1DHTR1AHTR1BMCHR1ROCK2

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 483/4885HTR1A 390/4885HTR1B 354/4885

“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.