SCHEMBL21625331

SCHEMBL21625331

CC(C)CC1CCN(C)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
DPP4 P27487 1/20 0.31
NCF1 P14598 1/20 0.30

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
SCHEMBL23710899 0.78 OPRK1 (0.34) OPRK1
SCHEMBL16120530 0.77 NCF1 (0.33) NCF1
SCHEMBL6628398 0.75 EPHX2 (0.33) NCF1
SCHEMBL6274327 0.75 NCF1 (0.32) NCF1
SCHEMBL1424113 0.75 NCF1 (0.52) NCF1
SCHEMBL22930835 0.73 HRH3 (0.32) DPP4NCF1
SCHEMBL5901179 0.72 BRD4 (0.35) DPP4NCF1
SCHEMBL8744486 0.72 NCF1 (0.39) NCF1
SCHEMBL102076 0.72 NCF1 (0.52) OPRK1NCF1
SCHEMBL21781829 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230048816-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2023-02-16 US disclosed
US-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-04-06 US disclosed
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-21 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 (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-10968205-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 OPRK1 1373/4885DPP4 787/4885NCF1 1469/4885
US-20230048816-A1 PYRIDAZINONE COMPOUNDS AND USES THEREOF IL6, IL1B, IL1A OPRK1 1388/4885DPP4 1156/4885NCF1 1550/4885
US-10538513-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 OPRK1 1373/4885DPP4 787/4885NCF1 1469/4885

“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.