SCHEMBL255017

SCHEMBL255017

CCc1cn(CCO)nn1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 14/20 0.41
NOTUM Q6P988 1/20 0.39
CYP19A1 P11511 1/20 0.38
SMPD1 P17405 4/20 0.37

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
SCHEMBL12825911 0.85 CYP19A1 (0.54) GBA1CYP19A1
SCHEMBL19509621 0.83 NOTUM (0.53) GBA1NOTUM
SCHEMBL24023176 0.83
SCHEMBL1753962 0.83 GBA1 (0.45) GBA1CYP19A1
SCHEMBL14020289 0.83 MAPT (0.44) GBA1
SCHEMBL23081527 0.82 GBA1 (0.52) GBA1CYP19A1
SCHEMBL16029999 0.82 POLB (0.48) GBA1NOTUMCYP19A1
SCHEMBL12299387 0.82 GBA1 (0.51) GBA1SMPD1
SCHEMBL12299383 0.82 GBA1 (0.51) GBA1SMPD1
SCHEMBL12825189 0.81 MAOB (0.43) GBA1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099668-B1 5-BIPHENYL-4-HETEROARYLCARBONYLAMINO-PENTANOIC ACID DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2022-05-04 EP disclosed
EP-3763813-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES Chugai Seiyaku Kabushiki Kaisha (JP) 2021-01-13 EP disclosed
US-9926298-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-03-27 US disclosed
US-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-01-11 US disclosed
US-9862703-B2 Heterocyclic compounds and use thereof NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2018-01-09 US disclosed
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NAT HEALTH RESEARCH INSTITUTES (TW) 2016-03-24 US disclosed
WO-2012030683-A2 NOVEL SINGLE CHEMICAL ENTITIES AND METHODS FOR DELIVERY OF OLIGONUCLEOTIDES MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2011029639-A2 COMPOUNDS AND METHODS FOR TREATING NEOPLASIA MEDEXIS S.A. (GR) 2011-03-17 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 (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-20180009786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 GBA1 2284/4885NOTUM 2711/4885CYP19A1 367/4885
US-20160083369-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, MCL1 GBA1 2284/4885NOTUM 2711/4885CYP19A1 367/4885

“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.