SCHEMBL14920971

SCHEMBL14920971

NCCc1ccc(C(F)(F)F)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.37
TRPV1 Q8NER1 1/20 0.36
TKT P29401 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LOX P28300 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FABP4 P15090 1/20 0.31
F2 P00734 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31

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
SCHEMBL9952737 0.85 LOXL2 (0.38) TRPV1TKTP2RX7LOXL2KDM4E
SCHEMBL27604070 0.82 TRPV1 (0.34) TRPV1TKTL3MBTL1FABP4
SCHEMBL10278275 0.82 TAAR1 (0.37) TAAR1HTR2AHTR2CCYP1A2
SCHEMBL4485875 0.79 KMT2A (0.39) TRPV1TKTP2RX7KDM4EALDH1A1
SCHEMBL30910910 0.79 KMT2A (0.39) TRPV1TKTP2RX7KDM4EALDH1A1
SCHEMBL29464837 0.78 TRPV1 (0.37) TRPV1TKTP2RX7KDM4EALDH1A1
SCHEMBL12266190 0.78 TRPV1 (0.40) TRPV1P2RX7ALDH1A1L3MBTL1
SCHEMBL1742466 0.78 TRPV1 (0.37) TRPV1TKTP2RX7KDM4EALDH1A1
SCHEMBL5036133 0.78 TRPV1 (0.37) TRPV1P2RX7KDM4EALDH1A1HSD17B10
SCHEMBL2129756 0.75 MBOAT4 (0.49) TAAR1TRPV1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
US-9301526-B2 Compounds with nematicidal activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-05 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
US-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-11 US disclosed
EP-2773215-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
EP-2773203-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
US-20140249149-A1 Compounds with Nematicidal Activity BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-04 US disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064460-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064460-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed
WO-2013064461-A2 COMPOUNDS WITH NEMATICIDAL ACTIVITY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 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-20140256728-A1 COMPOUNDS WITH NEMATICIDAL ACTIVITY ACHE, TUBA3C, NAAA TAAR1 3660/4885TRPV1 191/4885TKT 2154/4885
US-20140249149-A1 Compounds with Nematicidal Activity ACHE, NAAA, TUBA3C TAAR1 3582/4885TRPV1 144/4885TKT 2430/4885

“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.