SCHEMBL3497345

SCHEMBL3497345

COC(=O)c1ccc(-c2nc3ccccc3n2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.62
TBXA2R P21731 1/20 0.62
ALDH1A1 P00352 7/20 0.58
RAB9A P51151 7/20 0.58
KDM4E B2RXH2 6/20 0.58
NPC1 O15118 6/20 0.58
PKM P14618 5/20 0.58
HSD17B10 Q99714 3/20 0.58
TP53 P04637 2/20 0.58
GAA P10253 2/20 0.58
ALOX15 P16050 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.56
CA1 P00915 1/20 0.56

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
SCHEMBL28609161 0.85 HDAC1 (0.57) DRD2TBXA2RALDH1A1RAB9AKDM4E
SCHEMBL15717539 0.84 ALDH1A1 (0.63) ALDH1A1RAB9AKDM4ENPC1PKM
SCHEMBL5944072 0.83 HDAC1 (0.73) ALDH1A1RAB9AKDM4ENPC1PKM
SCHEMBL28600078 0.83 DRD2 (0.69) DRD2TBXA2RALDH1A1KDM4EHSD17B10
SCHEMBL28596201 0.83 DRD2 (0.71) DRD2TBXA2RALDH1A1RAB9AKDM4E
SCHEMBL19757627 0.82 CHEK2 (0.52) DRD2TBXA2RALDH1A1RAB9AKDM4E
SCHEMBL20982597 0.82 ALDH1A1 (0.83) ALDH1A1RAB9AKDM4ENPC1PKM
SCHEMBL28597103 0.81 DRD2 (0.66) DRD2TBXA2RALDH1A1KDM4EHSD17B10
SCHEMBL19763370 0.81 HDAC6 (0.59) ALDH1A1RAB9AKDM4ENPC1HSD17B10
SCHEMBL19763373 0.81 CHEK2 (0.56) DRD2TBXA2RALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166073-B Benzoheterocyclic compound and composition for preventing or treating cancer disease containing the same as active ingredient 启明大学校 产学协力团 2025-03-11 CN disclosed
CN-113166073-A Benzoheterocyclic compounds and compositions for preventing or treating cancer diseases containing the same as active ingredient 启明大学校产学协力团 2021-07-23 CN disclosed
US-9732032-B2 3-aminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-08-15 US disclosed
EP-2920146-B1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-2920146-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-09-23 EP disclosed
WO-2014075754-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-22 WO disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 DRD2 419/4885TBXA2R 337/4885ALDH1A1 1047/4885
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES FADS1, FASN, FFAR3 DRD2 2934/4885TBXA2R 421/4885ALDH1A1 1309/4885

“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.