SCHEMBL3495616

SCHEMBL3495616

O=C(O)Cc1cnn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS2 P35354 4/20 0.45
PTGS1 P23219 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR4A3 Q92570 1/20 0.43
HIF1A Q16665 1/20 0.43
RIPK2 O43353 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL11259925 0.90 KDM4E (0.54) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11538580 0.90 KDM4E (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11390332 0.88 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4833579 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11247004 0.84 PTGS2 (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL4837127 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11399825 0.80 LMNA (0.53) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL1195016 0.79 MAPK1 (0.58) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL11399987 0.78 MEN1 (0.47) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL5907346 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4258047-A ANALGESICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US disclosed
EP-0014847-A1 Pyrazole derivatives, pharmaceutical preparations containing them and process for their production MERCK PATENT GmbH (DE) 1980-09-03 EP disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 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 (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ALDH1A1 1062/4885MEN1 750/4885KMT2A 952/4885

“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.