SCHEMBL14937282

SCHEMBL14937282

COc1nnccc1C(=O)C[C@H](c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
PTK2 Q05397 3/20 0.40
TP53 P04637 3/20 0.39
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 4/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.37
PIK3CD O00329 1/20 0.37
WNT3A P56704 1/20 0.37
HPGDS O60760 1/20 0.37

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
SCHEMBL14937281 1.00 NAMPT (0.41) NAMPTJAK2JAK3PTK2TP53
SCHEMBL14936913 0.90 GPBAR1 (0.36) TP53LMNA
SCHEMBL14965693 0.89 GPBAR1 (0.35) TP53MAPT
SCHEMBL14936640 0.85 GPBAR1 (0.38)
SCHEMBL14936642 0.85 GPBAR1 (0.38)
SCHEMBL14936621 0.85 NAMPT (0.44) NAMPTTP53THRBGAASMN1; SMN2
SCHEMBL14936453 0.84 GPBAR1 (0.37) GAAMAPT
SCHEMBL14936454 0.84 GPBAR1 (0.37) GAAMAPT
SCHEMBL1390947 0.81 GPR119 (0.46) NAMPTJAK2JAK3PTK2TP53
SCHEMBL363900 0.81 GPR119 (0.46) NAMPTJAK2JAK3PTK2TP53

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
EP-2780330-B1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2016-01-06 EP disclosed
US-9090565-B2 1-pyridazinyl-hydroxyimino-3-phenyl-propanes HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 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-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, ADRB1, GPER1 NAMPT 3359/4885JAK2 2891/4885JAK3 3586/4885

“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.