SCHEMBL7907757

SCHEMBL7907757

OCc1ccc(N2CCCCC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
S100B P04271 2/20 0.42
MAPK1 P28482 2/20 0.42
TERT O14746 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRK6 P43250 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL194626 0.86 NR1H2 (0.43) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL21292936 0.83 ACVRL1 (0.47) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL14922279 0.83 CHKA (0.50) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL31032972 0.81 NR1H2 (0.43) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL21737191 0.81 MAPT (0.45) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22242861 0.80 SMN1; SMN2 (0.41) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2321192 0.80 FAAH (0.47) MAPTALDH1A1S100BMAPK1TERT
SCHEMBL28001716 0.79 HPGD (0.50) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7916691 0.79 DRD4 (0.53) SMN1; SMN2MAPTALDH1A1S100BMAPK1
SCHEMBL7920120 0.79 CTSC (0.43) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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 5 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
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
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
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
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 KDM4E 3198/4885SMN1; SMN2 357/4885NPC1 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.