SCHEMBL3058261

SCHEMBL3058261

CN(CCc1ccccn1)c1ccc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
CXCR2 P25025 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL3063300 0.92 POLB (0.44) POLBKDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL3822248 0.88 POLB (0.43) POLBKDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL3054777 0.87 POLB (0.43) POLBKDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL3068377 0.86 CYP3A4 (0.42) POLBCYP3A4ALDH1A1
SCHEMBL3061759 0.85 TRPV1 (0.41) POLBSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL8195085 0.84 CXCR2 (0.47) POLBKDM4ESMN1; SMN2MAPTCXCR2
SCHEMBL3063698 0.84 POLB (0.42) POLBKDM4ESMN1; SMN2MAPTHSD17B10
SCHEMBL3823489 0.84 KDM4E (0.47) POLBKDM4ESMN1; SMN2MAPTTSHR
SCHEMBL3056261 0.81 POLB (0.41) POLBKDM4ESMN1; SMN2MAPTCYP3A4
SCHEMBL3067990 0.79 CYP3A4 (0.39) POLBCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S POLB 4856/4885KDM4E 1978/4885SMN1; SMN2 1950/4885

“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.