SCHEMBL3333281

SCHEMBL3333281

COCCNC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
KDM4E B2RXH2 3/20 0.60
CHRM2 P08172 4/20 0.58
CHRM5 P08912 4/20 0.58
CHRM3 P20309 3/20 0.58
HTT P42858 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 3/20 0.55
CHRM1 P11229 1/20 0.55
DRD2 P14416 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.53
GRIN2B Q13224 3/20 0.52
NPSR1 Q6W5P4 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ENPP2 Q13822 1/20 0.50

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
SCHEMBL26510682 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL29532592 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL2857988 0.87 HTT (0.62) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL1972315 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL5866394 0.85 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL296939 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL5866443 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL25256030 0.85 GRIN2B (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL5866379 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKDM4ECHRM2
SCHEMBL19798267 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AKDM4ECHRM2

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
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2013026587-A1 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2013-02-28 WO disclosed
WO-2012066077-A1 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2012-05-24 WO disclosed
US-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
EP-2139888-A2 IMIDAZOÝ1,2-A¨PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-01-06 EP disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 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-20100144751-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 SMN1; SMN2 3736/4885NPC1 3139/4885RAB9A 3425/4885

“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.