SCHEMBL16635569

SCHEMBL16635569

Cn1nc(C(F)F)c(C(=O)N(CCc2ccccc2)C2CC2)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 11/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.43
DAGLB Q8NCG7 2/20 0.40
DAGLA Q9Y4D2 2/20 0.40
SMYD3 Q9H7B4 2/20 0.39
TMEM97 Q5BJF2 2/20 0.38
C5AR1 P21730 1/20 0.38
SIGMAR1 Q99720 1/20 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
SCHEMBL17431025 0.89 AGER (0.46) OPRM1TMEM97SIGMAR1
SCHEMBL16635727 0.82 RIPK1 (0.38) C5AR1
SCHEMBL15648591 0.81 RAB9A (0.40) MEN1KMT2AOPRM1ALDH1A1TMEM97
SCHEMBL14798629 0.79 GPBAR1 (0.40) MEN1KMT2A
SCHEMBL28383255 0.79 DCUN1D1 (0.42) ALDH1A1
SCHEMBL29269873 0.79 PIK3CD (0.38) SMYD3
SCHEMBL13731461 0.79 SLC6A2 (0.43) MEN1KMT2AOPRM1ALDH1A1C5AR1
SCHEMBL13723227 0.79 SLC6A2 (0.44) OPRM1ALDH1A1
SCHEMBL29368410 0.79 SLC6A2 (0.43) MEN1KMT2AOPRM1ALDH1A1C5AR1
SCHEMBL25994113 0.79 RAB9A (0.38) OPRM1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626109-B2 N-hetaryl(thio)carbonyl-2-(benzocycloalken-1-yl)cyclamines and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-21 US disclosed
EP-3055296-B1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-11-28 EP disclosed
US-20160244433-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-3055296-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1 -YL)CYCLAMINES AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-08-17 EP disclosed
CN-105636947-A N-hetaryl(thio)carbonyl-2-(benzocycloalken-1 -yl)cyclamines and their use as fungicides BAYER CROPSCIENCE AG 2016-06-01 CN disclosed
WO-2015052160-A9 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1 -YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-17 WO disclosed
WO-2015052160-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1 -YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-04-16 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 (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-10626109-B2 N-hetaryl(thio)carbonyl-2-(benzocycloalken-1-yl)cyclamines and their use as fungicides CBR1, CBR3, CYP4Z1 MEN1 2885/4885KMT2A 2029/4885OPRM1 2111/4885
US-20160244433-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES CBR1, CBR3, CYP4Z1 MEN1 2885/4885KMT2A 2029/4885OPRM1 2111/4885

“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.