SCHEMBL9918374

SCHEMBL9918374

CC(C)CC(c1ccco1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
OPRD1 P41143 5/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.43
POLB P06746 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL9923033 0.82 OPRM1 (0.47) OPRM1OPRD1KMT2ASMN1; SMN2RAB9A
SCHEMBL9899906 0.80 NISCH (0.46) OPRM1OPRD1KMT2ASMN1; SMN2RAB9A
SCHEMBL6017360 0.76 OPRM1 (0.49) OPRM1OPRD1KMT2ASMN1; SMN2RAB9A
SCHEMBL3853218 0.74 ALOX5 (0.53) OPRM1OPRD1KMT2ASMN1; SMN2POLB
SCHEMBL8321455 0.73 KMT2A (0.44) KMT2ASMN1; SMN2POLBKDM4EHTT
SCHEMBL9725754 0.72 ALOX5 (0.40) KMT2APOLBKDM4EHSD17B10ALDH1A1
SCHEMBL9725757 0.72 ALOX5 (0.40) KMT2APOLBKDM4EHSD17B10ALDH1A1
SCHEMBL12938059 0.71 ALDH1A1 (0.45) OPRM1OPRD1KMT2AKDM4EHSD17B10
SCHEMBL13995841 0.71 ALDH1A1 (0.45) OPRM1OPRD1KMT2AKDM4EHSD17B10
SCHEMBL13995839 0.71 ALDH1A1 (0.45) OPRM1OPRD1KMT2AKDM4EHSD17B10

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 OPRM1 4194/4885OPRD1 4044/4885KMT2A 774/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 OPRM1 4238/4885OPRD1 4266/4885KMT2A 628/4885

“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.