SCHEMBL356606

SCHEMBL356606

CN1CC[C@@H](NC(=O)c2ccccn2)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.60
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM5A P29375 1/20 0.56
SMYD3 Q9H7B4 1/20 0.54
NTRK1 P04629 4/20 0.52
USP30 Q70CQ3 5/20 0.52
SSTR4 P31391 3/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
EPHX2 P34913 1/20 0.49
SSTR1 P30872 1/20 0.48

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
SCHEMBL31654067 1.00 GRM5 (0.60) GRM5KDM4EGAAKMT2AKDM5A
SCHEMBL25053100 0.92 GRM5 (0.63) GRM5KDM4EGAAKMT2AKDM5A
SCHEMBL30200058 0.89 GRM5 (0.62) GRM5KDM4EGAAKMT2AKDM5A
SCHEMBL21324599 0.86 USP30 (0.72) GRM5KDM4EKDM5ANTRK1USP30
SCHEMBL8063384 0.83 KDM5A (0.70) GRM5KDM4EGAAKMT2AKDM5A
SCHEMBL21722409 0.81 HRH2 (0.58) GRM5KDM4EGAAKDM5ASMYD3
SCHEMBL3462409 0.81 HRH2 (0.58) GRM5KDM4EGAAKDM5ASMYD3
SCHEMBL14067296 0.81 GRM5 (0.60) GRM5KDM4EGAAKMT2AKDM5A
SCHEMBL2241357 0.81 GRM5 (0.77) GRM5KDM4EGAAKMT2ASMYD3
SCHEMBL20068949 0.81 SSTR4 (0.51) KMT2AKDM5ANTRK1SSTR4SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533904-B Melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-10-29 CN claimed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 GRM5 4603/4885KDM4E 3873/4885GAA 916/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GRM5 4603/4885KDM4E 3873/4885GAA 916/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 GRM5 4603/4885KDM4E 3873/4885GAA 916/4885

“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.