SCHEMBL16211776

SCHEMBL16211776

O/N=C1\CCC1c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABCB1 P08183 1/20 0.36
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TTR P02766 1/20 0.31
CES2 O00748 1/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 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
SCHEMBL16211777 1.00 KDM4E (0.37) KDM4EALDH1A1ABCB1HTR2CHTR2B
SCHEMBL16586750 0.78 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL16586748 0.78 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL16392349 0.71 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL16212320 0.71 ABCB1 (0.39) ALDH1A1ABCB1HTR2CHTR2BCHRNB2
SCHEMBL16212172 0.66 GAA (0.45) KDM4EALDH1A1HTR2CHTR2B
SCHEMBL16212174 0.66 GAA (0.45) KDM4EALDH1A1HTR2CHTR2B
SCHEMBL16212142 0.66 KDM4E (0.40) KDM4EALDH1A1HTR2CHTR2B
SCHEMBL16212143 0.66 KDM4E (0.40) KDM4EALDH1A1HTR2CHTR2B
SCHEMBL24801038 0.64 CRBN (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 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-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA KDM4E 2020/4885ALDH1A1 3851/4885ABCB1 697/4885

“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.