SCHEMBL18214733

SCHEMBL18214733

Cc1nc(C(C)(C)O)co1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.35
ENPP1 P22413 1/20 0.35
NLRP3 Q96P20 1/20 0.33
FPR2 P25090 1/20 0.31

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
SCHEMBL2656541 0.81 ENPP3 (0.42) ENPP3ENPP1
SCHEMBL18214768 0.79 ENPP3 (0.32) ENPP3ENPP1
SCHEMBL18867386 0.77 ENPP3 (0.35) ENPP3ENPP1
SCHEMBL18214835 0.77 ENPP3 (0.32) ENPP3ENPP1
SCHEMBL18214769 0.77 ENPP3 (0.32) ENPP3ENPP1
SCHEMBL10223201 0.76 NLRP3 (0.35) NLRP3
SCHEMBL17859390 0.76 CYP1A2 (0.34) NLRP3
SCHEMBL9911978 0.74 PTGS2 (0.40) ENPP3ENPP1
SCHEMBL29131216 0.74 ENPP3 (0.34) ENPP3ENPP1
SCHEMBL19564473 0.72 NLRP3 (0.32) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2020135771-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2020-07-02 WO disclosed
US-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
WO-2016177686-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO 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-20170320874-A1 6,5-BICYCLIC OCTAHYDROPYRROLOPYRIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R ENPP3 1019/4885ENPP1 1110/4885NLRP3 439/4885

“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.