SCHEMBL22200064

SCHEMBL22200064

CC(C)(C)c1ccncc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
OPRL1 P41146 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 1/20 0.34
RBP4 P02753 1/20 0.34
TDO2 P48775 2/20 0.33
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL22199984 0.98 CYP11B2 (0.43) CYP11B2OPRL1CHRNB2CHRNA4GAA
SCHEMBL22199985 0.98 CYP11B2 (0.43) CYP11B2OPRL1CHRNB2CHRNA4GAA
SCHEMBL16132330 0.93 OPRL1 (0.39) OPRL1CHRNB2CHRNA4RBP4CYP17A1
SCHEMBL8139062 0.78 OPRL1 (0.40) CYP11B2OPRL1CHRNB2CHRNA4RBP4
SCHEMBL21757517 0.76 OPRL1 (0.49) CYP11B2OPRL1CHRNB2CHRNA4TDO2
SCHEMBL21757521 0.74 OPRL1 (0.48) CYP11B2OPRL1CHRNB2CHRNA4TDO2
SCHEMBL21757505 0.74 OPRL1 (0.48) CYP11B2OPRL1CHRNB2CHRNA4TDO2
SCHEMBL27295140 0.72 CYP11B2 (0.44) CYP11B2OPRL1CHRNB2CHRNA4TDO2
SCHEMBL16335849 0.72 HTR2C (0.44) GAARBP4
SCHEMBL21973762 0.70 CYP11B2 (0.43) CYP11B2OPRL1CHRNB2CHRNA4TDO2

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-11014933-B2 Non-peptide opioid receptor modulators VIRGINIA COMMONWEALTH UNIVERSITY (US) 2021-05-25 US disclosed
US-20200216458-A1 NON-PEPTIDE OPIOID RECEPTOR MODULATORS VIRGINIA COMMONWEALTH UNIVERSITY 2020-07-09 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-11014933-B2 Non-peptide opioid receptor modulators OPRM1, OPRL1, OPRK1 CYP11B2 3720/4885OPRL1 2/4885CHRNB2 271/4885
US-20200216458-A1 NON-PEPTIDE OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 CYP11B2 3720/4885OPRL1 2/4885CHRNB2 271/4885

“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.