SCHEMBL794941

SCHEMBL794941

Fc1c(Cl)cc(C2(C(F)(F)F)CCNC2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.38
SLC6A4 P31645 19/20 0.38
SLC6A3 Q01959 19/20 0.38
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28205007 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL18229253 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL115890 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL115415 0.83 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL14844401 0.83 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL14844322 0.83 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL2180925 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10279155 0.80 PDK2 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL794414 0.80 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2180437 0.80 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104603139-B Spirocyclic derivatives as antiparasitic 硕腾服务有限责任公司 2016-12-07 CN disclosed
CN-104321317-B Insecticidal arylpyrrolidines 拜耳知识产权有限责任公司 2016-09-21 CN disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9221835-B2 Spirocyclic derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-12-29 US disclosed
US-9221835-B2 Spirocyclic derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-12-29 US disclosed
US-9221835-B2 Spirocyclic derivatives as antiparasitic agents ZOETIS SERVICES LLC (US) 2015-12-29 US disclosed
US-9206122-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20150210710-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-07-30 US disclosed
US-20150210710-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-07-30 US disclosed
US-20150210710-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2015-07-30 US disclosed
EP-2892902-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2015-07-15 EP disclosed
CN-103282347-B Pesticidal arylpyrrolidines BAYER IP GMBH 2015-04-01 CN disclosed
US-20150025253-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
EP-2825532-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2015-01-21 EP disclosed
WO-2014039489-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2014-03-13 WO disclosed
WO-2014039489-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2014-03-13 WO disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
WO-2013135724-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 WO disclosed
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 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 (3 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-20150210710-A1 SPIROCYCLIC DERIVATIVES AS ANTIPARASITIC AGENTS AVPR1A, AVPR1B, AVPR2 SLC6A2 1804/4885SLC6A4 3344/4885SLC6A3 1155/4885
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT SLC6A2 2777/4885SLC6A4 2485/4885SLC6A3 2120/4885
US-20150025253-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, NPEPPS SLC6A2 3529/4885SLC6A4 2886/4885SLC6A3 2550/4885

“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.