SCHEMBL3522146

SCHEMBL3522146

Cc1nc2c(c(=O)n1CCCl)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 6/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 2/20 0.36
CYP2C9 P11712 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 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
SCHEMBL10815682 0.67 NPSR1 (0.34) KDM4EALDH1A1GAAHTTMAPT
SCHEMBL7020936 0.65 KDM4E (0.43) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL1161698 0.65 KDM4E (0.40) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL3518418 0.64 DCTPP1 (0.37) HTR2AKDM4EHSD17B10HPGDALDH1A1
Potassium Ion SCHEMBL3677975 0.64 KDM4E (0.42) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL3525038 0.63 CYP2C9 (0.34) HTR2AKDM4EHSD17B10HPGDALDH1A1
SCHEMBL3679657 0.62 ALDH1A1 (0.55) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL7013477 0.61 ALDH1A1 (0.42) KDM4EHSD17B10HPGDALDH1A1GAA
SCHEMBL11732407 0.60 HPGD (0.33) HPGD
SCHEMBL10671834 0.60 AGTR1 (0.40) HTR2AKDM4EHSD17B10ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HTR2A 289/4885KDM4E 2348/4885HSD17B10 2731/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HTR2A 289/4885KDM4E 2348/4885HSD17B10 2731/4885

“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.