SCHEMBL163013

SCHEMBL163013

NCC(O)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
ACP3 P15309 1/20 0.45
CNR2 P34972 2/20 0.44
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
IDO1 P14902 4/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRA1B P35368 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDO2 P48775 1/20 0.38
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL7148448 1.00 PNMT (0.47) PNMTACP3CNR2HTR2CHTR2B
SCHEMBL5698922 0.84 ACP3 (0.45) ACP3CNR2IDO1P2RX7
SCHEMBL7784265 0.82 ACP3 (0.44) ACP3CNR2HTR2CHTR2BIDO1
SCHEMBL28565247 0.82 PDE2A (0.49) ACP3CNR2POLBCYP3A4P2RX7
SCHEMBL11662073 0.82 HTR2C (0.42) ACP3CNR2HTR2CHTR2BIDO1
SCHEMBL11087481 0.82 HTR2C (0.42) ACP3CNR2HTR2CHTR2BIDO1
SCHEMBL9280950 0.81 PPARG (0.40) PNMTACP3CNR2IDO1ADRA2A
SCHEMBL3175964 0.81 ACP3 (0.42) ACP3CNR2IDO1L3MBTL1TDO2
SCHEMBL7145812 0.80 AOC3 (0.40) PNMTIDO1ADRA2AADRA2BADRA2C
SCHEMBL7148845 0.80 TSHR (0.43) PNMTIDO1ADRA2AADRA2BADRA2C

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-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
EP-2619188-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
WO-2011105572-A1 NOVEL HETEROARYL DERIVATIVE 持田製薬株式会社 (JP) 2011-09-01 WO disclosed
CN-101412711-A Carbamate derivatives and use thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-22 CN disclosed
WO-2008024634-A1 PYRIMDINE COMPOUNDS USEFUL AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 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 (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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT PNMT 3/4885ACP3 2034/4885CNR2 2040/4885

“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.