SCHEMBL195098

SCHEMBL195098

COC(=O)c1ccc(N2CCCCC2)c(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.70
KDM4E B2RXH2 4/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
NPSR1 Q6W5P4 1/20 0.70
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.51
NOTUM Q6P988 1/20 0.49
ERAP2 Q6P179 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47
GLA P06280 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL29805510 1.00 SMN1; SMN2 (0.70) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL24826121 0.98 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL4282794 0.87 RXFP1 (0.60) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL2773762 0.84 NPC1 (0.72) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL195575 0.82 KDM4E (1.00) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL31038267 0.82 KDM4E (1.00) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL6125361 0.82 RAB9A (0.70) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL29805317 0.81 GAA (0.67) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL102879 0.81 SMN1; SMN2 (0.48) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL7432215 0.81 KDM4E (0.97) SMN1; SMN2KDM4ENPC1RAB9ANPSR1

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-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 SMN1; SMN2 357/4885KDM4E 3198/4885NPC1 85/4885

“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.