SCHEMBL4672867

SCHEMBL4672867

O=C(c1ccncc1)C1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
CYP2D6 P10635 1/20 0.62
KMT2A Q03164 1/20 0.62
HRH3 Q9Y5N1 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNA7 P36544 1/20 0.44
CDC7 O00311 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL6494263 0.86 KDM4E (0.58) MEN1KMT2AHRH3KDM4EPOLB
SCHEMBL28957256 0.82 POLB (0.55) MEN1CYP2D6KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL656874 0.81 KMT2A (0.62) MEN1CYP2D6KMT2AHRH3HTR2A
SCHEMBL408318 0.81 KMT2A (0.66) MEN1CYP2D6KMT2AHRH3HTR2A
SCHEMBL11638730 0.81 SRD5A2 (0.58) CYP2D6KDM4EPOLBGAAHTR2A
SCHEMBL4670846 0.80 SLC18A3 (0.52) MEN1CYP2D6KMT2AHRH3KDM4E
SCHEMBL13944266 0.79 MEN1 (0.69) MEN1CYP2D6KMT2AHRH3HTR3E
Hydrochloric Acid SCHEMBL227939 0.79 KMT2A (0.69) MEN1CYP2D6KMT2AHRH3HTR2A
Bromide SCHEMBL10968790 0.79 KMT2A (0.64) MEN1CYP2D6KMT2AHRH3HTR2A
SCHEMBL5218517 0.79 MEN1 (0.69) MEN1CYP2D6KMT2AHRH3HTR3E

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
CN-115850241-B Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2025-01-14 CN disclosed
US-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2024-11-28 US disclosed
WO-2023046055-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING α-KETONE FRAMEWORK, AND USE THEREOF 中国药科大学 2023-03-30 WO disclosed
CN-115850241-A Substituted heterocyclic compound containing alpha-ketone skeleton and application thereof 中国药科大学 2023-03-28 CN disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 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-20240391901-A1 SUBSTITUTED HETEROCYCLIC COMPOUND CONTAINING ALPHA-KETONE FRAMEWORK, AND USE THEREOF FAAH, FAAH2, FAH MEN1 4408/4885CYP2D6 1385/4885KMT2A 1552/4885

“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.