SCHEMBL3056261

SCHEMBL3056261

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
RIPK1 Q13546 2/20 0.41
BCL2A1 Q16548 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 2/20 0.37
NR1H4 Q96RI1 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
LTB4R2 Q9NPC1 2/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL3064331 0.88 CACNA1H (0.45) POLBRIPK1BCL2A1SMN1; SMN2MEN1
SCHEMBL3061759 0.88 TRPV1 (0.41) POLBRIPK1BCL2A1SMN1; SMN2MEN1
SCHEMBL3058763 0.87 CACNA1H (0.41) POLBRIPK1BCL2A1NR1H4CACNA1H
SCHEMBL3071604 0.84 BCL2A1 (0.44) POLBRIPK1BCL2A1SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL3054195 0.83 CACNA1H (0.42) POLBRIPK1BCL2A1SMN1; SMN2MEN1
SCHEMBL3049292 0.82 HRH3 (0.38) POLBRIPK1BCL2A1LTB4R2CACNA1H
SCHEMBL3066257 0.82 RIPK1 (0.39) POLBRIPK1BCL2A1SMN1; SMN2MEN1
SCHEMBL3057771 0.82 MAPT (0.47) RIPK1MEN1CYP3A4CYP2C19KMT2A
SCHEMBL3054673 0.82 NR1H2 (0.41) POLBRIPK1BCL2A1CYP3A4CXCR2
Hydrochloric Acid SCHEMBL3057733 0.82 HRH3 (0.37) POLBRIPK1BCL2A1LTB4R2CACNA1H

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 6 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

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 4856/4885RIPK1 2974/4885BCL2A1 956/4885

“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.