SCHEMBL3701792

SCHEMBL3701792

Cc1cccnc1CCC(=O)c1ccccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
ALDH1A1 P00352 4/20 0.43
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
DAO P14920 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL27949148 0.78 SSTR4 (0.45) CTNNB1WNT3AALDH1A1DAOKDM4E
SCHEMBL15649493 0.77 CYP19A1 (0.57) CYP19A1CTNNB1WNT3AALDH1A1MGAM
SCHEMBL25046255 0.77 ALDH1A1 (0.44) CTNNB1WNT3AALDH1A1DAOKDM4E
SCHEMBL14384066 0.76 TDP1 (0.54) ALDH1A1GAAKDM4ELMNAL3MBTL1
SCHEMBL1733676 0.76 CYP19A1 (0.55) CYP19A1CTNNB1WNT3AALDH1A1KDM4E
SCHEMBL20827594 0.75 CTNNB1 (0.62) CTNNB1WNT3AALDH1A1KDM4EL3MBTL1
SCHEMBL25046279 0.75 SSTR4 (0.43) CTNNB1WNT3AALDH1A1DAOKDM4E
SCHEMBL4665912 0.75 SSTR4 (0.43) CTNNB1WNT3AALDH1A1DAOL3MBTL1
SCHEMBL1734905 0.74 NPC1 (0.50) CYP19A1ALDH1A1GAALMNAL3MBTL1
SCHEMBL15969042 0.72 CTNNB1 (0.71) CTNNB1WNT3AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 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 (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-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 CYP19A1 2965/4885CTNNB1 4792/4885WNT3A 4563/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 CYP19A1 3485/4885CTNNB1 4798/4885WNT3A 4556/4885

“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.