SCHEMBL14936621

SCHEMBL14936621

Cc1ccccc1C(CC(=O)c1ccnnc1)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
GPR119 Q8TDV5 4/20 0.42
TP53 P04637 2/20 0.41
HPGDS O60760 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
LMNA P02545 4/20 0.40
THRB P10828 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
WNT3A P56704 1/20 0.39
P2RY14 Q15391 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL368575 0.89 GPBAR1 (0.51) NAMPTGPR119TP53HPGDSKDM4E
SCHEMBL368574 0.89 GPBAR1 (0.51) NAMPTGPR119TP53HPGDSKDM4E
SCHEMBL1390947 0.87 GPR119 (0.46) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL363900 0.87 GPR119 (0.46) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL14937282 0.85 NAMPT (0.41) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL14937281 0.85 NAMPT (0.41) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL370010 0.84 GPR119 (0.44) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL368536 0.84 NAMPT (0.43) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL368537 0.84 NAMPT (0.43) NAMPTGPR119TP53HPGDSMAPT
SCHEMBL370011 0.84 GPR119 (0.44) NAMPTGPR119TP53HPGDSMAPT

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 5 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
EP-2780330-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-24 EP disclosed
WO-2013072265-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-23 WO 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 3359/4885GPR119 4/4885TP53 4187/4885

“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.