SCHEMBL4356513

SCHEMBL4356513

COc1ccc(F)cc1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
SIRT6 Q8N6T7 1/20 0.42
GRIA1 P42261 2/20 0.42
GRIA2 P42262 2/20 0.42
GRIA3 P42263 2/20 0.42
GRIA4 P48058 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
SCN9A Q15858 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
PIN1 Q13526 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14287069 0.85 RAB9A (0.46) RAB9ASIRT6GRIA1GRIA2GRIA3
SCHEMBL14287063 0.82 RAB9A (0.44) RAB9ASIRT6GRIA1GRIA2GRIA3
SCHEMBL4356507 0.81 CCNT1 (0.41) CCNT1CDK9SCN9APTGDR2
SCHEMBL6614736 0.80 HTR2A (0.45) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL17197560 0.80 SIRT6 (0.49) RAB9ASIRT6GRIA1GRIA2GRIA3
SCHEMBL8124106 0.75 CREBBP (0.38) RAB9ACCNT1CDK9SCN9AS1PR1
SCHEMBL8133475 0.74 CYP1A2 (0.35) RAB9ACCNT1CDK9SCN9APTGDR2
SCHEMBL13667597 0.74 CREBBP (0.37) RAB9ACCNT1CDK9SCN9A
SCHEMBL6613450 0.73 HTR2A (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5095974 0.72 CCNT1 (0.39) ALDH1A1CCNT1CDK9SCN9AS1PR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2009-10-01 US disclosed
WO-2008144931-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-04 WO disclosed
WO-2008144931-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2008-12-04 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-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 RAB9A 1235/4885SIRT6 3318/4885GRIA1 347/4885

“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.