SCHEMBL8470423

SCHEMBL8470423

O=C1CN(c2cnccn2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 1/20 0.40
ALDH1A1 P00352 1/20 0.39
P4HTM Q9NXG6 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
HSP90AA1 P07900 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
P2RX7 Q99572 1/20 0.33
SCN9A Q15858 1/20 0.33
GRM1 Q13255 1/20 0.33
HTR1A P08908 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2563426 0.75 CRBN (0.71) CRBNALDH1A1KDM4E
SCHEMBL6411615 0.69 CRBN (0.46) CRBNALDH1A1PDE3BPDE3AKDM4E
SCHEMBL11552686 0.69 PRKCH (0.44) ALDH1A1KDM4EP2RX7KCNH2
SCHEMBL8474128 0.68 CRBN (0.43) CRBNALDH1A1PDE3BPDE3AKDM4E
SCHEMBL5767440 0.68 PIM1 (0.44) OPRM1OPRL1P4HTMMAOBKDM4E
SCHEMBL30638525 0.68 GRM5 (0.55) OPRM1OPRL1CCNA2CDK2
SCHEMBL30638528 0.68 OPRM1 (0.41) OPRM1OPRL1MAOBKDM4ECCNA2
SCHEMBL20390820 0.68 GAA (0.43) ALDH1A1MAOBKDM4EHTR1A
SCHEMBL30638502 0.68 GAA (0.43) ALDH1A1MAOBKDM4EHTR1A
SCHEMBL1713643 0.68 MAOB (0.38) OPRM1OPRL1ALDH1A1P4HTMMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 US disclosed
US-6004963-A TUMOR NECROSIS FACTOR RELEASE INHIBITORS; IMMUNOMODULATORS GRUENENTHAL GMBH (DE) 1999-12-21 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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 CRBN 1432/4885OPRM1 4863/4885OPRL1 4695/4885

“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.