SCHEMBL964443

SCHEMBL964443

O=C(OCc1ccccc1)N1CCC(F)(F)C(OCc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM1A O60341 3/20 0.51
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RORC P51449 3/20 0.45
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
PDE4B Q07343 1/20 0.43
GRIN2B Q13224 1/20 0.42
HTT P42858 1/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL2146173 0.88 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL21577702 0.86 KDM1A (0.42) SMN1; SMN2NPC1RAB9AKDM1A
SCHEMBL21577677 0.86 TACR1 (0.46) MEN1KMT2ARORCOPRD1OPRK1
SCHEMBL28484674 0.84 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL376057 0.84 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL17801576 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL959849 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL18383375 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL30232267 0.80 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19
SCHEMBL16903443 0.79 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AKDM1ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R SMN1; SMN2 3341/4885NPC1 2148/4885RAB9A 4532/4885

“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.