SCHEMBL4356507

SCHEMBL4356507

COc1ccc(F)cc1-c1ccc(N)c2c1CCN(C)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.41
CDK9 P50750 5/20 0.41
SCN9A Q15858 1/20 0.41
LRRK2 Q5S007 2/20 0.40
MKNK1 Q9BUB5 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
MAOB P27338 3/20 0.38
HTR6 P50406 2/20 0.38
MAOA P21397 2/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 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
SCHEMBL14287305 0.85 CCNT1 (0.44) CCNT1CDK9SCN9ALRRK2PTGDR2
SCHEMBL14287067 0.83 MKNK1 (0.40) MKNK1MAOBHTR6MAOASLC6A4
SCHEMBL5095974 0.81 CCNT1 (0.39) CCNT1CDK9SCN9ALRRK2MKNK1
SCHEMBL4356513 0.81 RAB9A (0.46) CCNT1CDK9SCN9APTGDR2
SCHEMBL14287065 0.80 MKNK1 (0.47) MKNK1MAOBHTR6MAOASLC6A4
SCHEMBL6611465 0.78 HDAC1 (0.38)
SCHEMBL14287271 0.77 CCNT1 (0.36) CCNT1CDK9SCN9ALRRK2MKNK1
SCHEMBL14287250 0.77 CCNT1 (0.36) CCNT1CDK9SCN9ALRRK2MKNK1
SCHEMBL17197369 0.77 DRD1 (0.45) MAOBMAOASLC6A4
SCHEMBL4363792 0.74 KDM4E (0.39) CCNT1CDK9SCN9A

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 8 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
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US disclosed
US-20080004272-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 US 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 (2 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-20080004272-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 CCNT1 4868/4885CDK9 4231/4885SCN9A 126/4885
US-20090246134-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS ASIC1, ASIC3, TRPV1 CCNT1 4864/4885CDK9 4007/4885SCN9A 108/4885

“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.