SCHEMBL3698715

SCHEMBL3698715

O=C(CCc1ccccn1)c1ccc(OC2CCCC2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
LNPEP Q9UIQ6 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRM5 P41594 1/20 0.39
S1PR3 Q99500 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
SCHEMBL4568616 0.83 KDM4E (0.52) KDM4EMAPTALDH1A1POLBGAA
SCHEMBL30134679 0.83 MAPT (0.61) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL787766 0.83 MAPT (0.61) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL3704809 0.81 KDM4E (0.59) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL3703417 0.80 KDM4E (0.53) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL787535 0.78 MAPT (0.56) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL30777576 0.78 MAPT (0.56) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL793083 0.77 KDM4E (0.55) KDM4EMAPT
SCHEMBL933781 0.75 KDM4E (0.51) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL1733676 0.74 CYP19A1 (0.55) KDM4EMAPTALDH1A1

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 KDM4E 414/4885MAPT 2520/4885RAB9A 1279/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 KDM4E 505/4885MAPT 2572/4885RAB9A 962/4885

“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.