SCHEMBL15036780

SCHEMBL15036780

O=C(c1cccc(OCC(F)(F)F)c1)N1CC(O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.53
LOX P28300 7/20 0.48
LOXL2 Q9Y4K0 7/20 0.48
LOXL3 P58215 4/20 0.48
PDK2 Q15119 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 2/20 0.43
RECQL P46063 1/20 0.43
MGLL Q99685 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL15036781 0.90 LOX (0.48) MRGPRX4LOXLOXL2LOXL3CYP1A2
SCHEMBL16939952 0.89 HSD17B10 (0.47) MRGPRX4LOXLOXL2LOXL3PDK2
SCHEMBL15036865 0.84 HPGD (0.60) ALDH1A1RECQLLMNAPOLBHPGD
SCHEMBL30804719 0.80 L3MBTL3 (0.54) PDK2ALDH1A1HSD11B1MGLLMEN1
SCHEMBL14060831 0.78 MRGPRX4 (0.47) MRGPRX4LOXL2PDK2KMT2A
SCHEMBL2946154 0.76 NR4A2 (0.63) MRGPRX4KMT2A
SCHEMBL30281213 0.76 NR4A2 (0.63) MRGPRX4KMT2A
SCHEMBL2714234 0.75 MAOB (0.66) MEN1KMT2A
SCHEMBL15036779 0.75 PARP1 (0.56) MRGPRX4CYP1A2CYP2C9KDM4ELMNA
SCHEMBL1807570 0.74 HRH1 (0.54) HSD11B1MGLLPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-9663510-B2 Substituted triazolopyridines and their use as TTK inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-05-30 US disclosed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-30 US disclosed
US-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-30 US disclosed
EP-2791136-B1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER IP GMBH (DE) 2015-07-29 EP disclosed
WO-2013087579-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 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-20150210683-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND THEIR USE AS TTK INHIBITORS TTK, TXK, ITK MRGPRX4 905/4885LOX 2435/4885LOXL2 3504/4885
US-20160120854-A1 PHARMACEUTICAL COMPOSITIONS CYP3A5, CYP2C19, CYP3A7 MRGPRX4 587/4885LOX 2982/4885LOXL2 3948/4885

“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.