SCHEMBL5188795

SCHEMBL5188795

N#CC(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
ACP3 P15309 2/20 0.45
CES2 O00748 2/20 0.45
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
LRRK2 Q5S007 1/20 0.41
CTSS P25774 1/20 0.41
DAO P14920 1/20 0.40
GAA P10253 1/20 0.40
RPS6KB1 P23443 1/20 0.39
MGLL Q99685 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38

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
SCHEMBL15391010 0.80 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL3913019 0.80 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL10959497 0.80 TRPA1 (0.52) PNMTIDO1TDO2ACP3CES2
SCHEMBL7952419 0.80 PNMT (0.47) PNMTIDO1TDO2ACP3CES2
SCHEMBL22189207 0.78 PNMT (0.56) PNMTIDO1TDO2ACP3CES2
SCHEMBL11824304 0.77 PNMT (0.45) PNMTIDO1TDO2ACP3CES2
SCHEMBL4135956 0.76 PNMT (0.65) PNMTIDO1TDO2ACP3CES2
SCHEMBL195126 0.76 KIF11 (0.45) ACP3CES2TSHRMGLL
SCHEMBL7573852 0.76 PNMT (0.44) PNMTIDO1TDO2ACP3CES2
SCHEMBL958288 0.76 PNMT (0.47) PNMTIDO1TDO2ACP3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
US-6528657-B2 For use in electroluminescence light emission element and can emit lights of various colors when an energy such as electric energy or electromagnetic energy is applied thereto TAIHO INDUSTRIES CO., LTD. (JP) 2003-03-04 US disclosed
US-20030023099-A1 Novel fluorescent carbazole derivative HIROSE ENGINEERING CO., LTD. (JP) 2003-01-30 US 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP PNMT 1452/4885IDO1 7/4885TDO2 266/4885
US-20030023099-A1 Novel fluorescent carbazole derivative CBR3, AANAT, SIRT3 PNMT 665/4885IDO1 289/4885TDO2 598/4885

“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.