SCHEMBL4437271

SCHEMBL4437271

N#CC1(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 2/20 0.46
SLC6A2 P23975 1/20 0.46
BDKRB1 P46663 1/20 0.44
KMT2A Q03164 1/20 0.42
OPRL1 P41146 3/20 0.42
OPRM1 P35372 1/20 0.42
KCNN4 O15554 2/20 0.41
CCR2 P41597 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL625836 0.93 SLC6A4 (0.50) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL15862525 0.93 SLC6A4 (0.54) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL3518646 0.92 SLC6A4 (0.56) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL435398 0.89 MAP3K12 (0.46) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL3135942 0.89 TACR1 (0.46) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
Hydrochloric Acid SCHEMBL2270715 0.88 TACR1 (0.45) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL14109292 0.87 OPRL1 (0.45) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL14041008 0.87 KMT2A (0.61) KDM1AKMT2AOPRM1
SCHEMBL14894499 0.84 KDM1A (0.45) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1
SCHEMBL14894357 0.83 KDM1A (0.51) KDM1ASLC6A4SLC6A3SLC6A2BDKRB1

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-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 US claimed
WO-2021078995-A1 SELECTIVE POLYPEPTIDE SYNTHESIS STALLING ASSAY AND COMPOUND UMC UTRECHT HOLDING B.V. (NL) 2021-04-29 WO disclosed
EP-3811945-A1 COMPOUNDS FOR TREATING AND PREVENTING GROWTH HORMONE RECEPTOR-DEPENDENT CONDITIONS UMC Utrecht Holding B.V. (NL) 2021-04-28 EP disclosed
EP-2530078-A1 THIAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
EP-2134692-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION Wyeth a Corporation of the State of Delaware (US) 2009-12-23 EP disclosed
US-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins WYETH (US) 2008-10-16 US disclosed
WO-2008121817-A2 QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION WYETH (US) 2008-10-09 WO disclosed
US-4859232-A Substituted-aryl cyclopropanecarbonitriles and derivatives thereof as herbicide antidotes MONSANTO COMPANY (US) 1989-08-22 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 (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-20080255192-A1 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins VCAM1, ICAM1, SELE KDM1A 3482/4885SLC6A4 2916/4885SLC6A3 2680/4885

“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.