SCHEMBL16635902

SCHEMBL16635902

c1ccc2c(c1)CCCC2C1CCCN1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
HSD11B1 P28845 1/20 0.50
PRCP P42785 1/20 0.44
IDO1 P14902 2/20 0.44
CYP2D6 P10635 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL7436023 0.95 DRD2 (0.49) DRD2HSD11B1PRCPIDO1
SCHEMBL16635558 0.92 DRD2 (0.49) DRD2HSD11B1PRCP
SCHEMBL15139479 0.92 DRD2 (0.59) DRD2HSD11B1PRCPADRA1A
SCHEMBL18032810 0.92 DRD2 (0.51) DRD2HSD11B1PRCP
SCHEMBL15139476 0.92 DRD2 (0.59) DRD2HSD11B1PRCPADRA1A
SCHEMBL9963997 0.92 DRD2 (0.59) DRD2HSD11B1PRCPADRA1A
SCHEMBL1865836 0.92 DRD2 (0.59) DRD2HSD11B1PRCPADRA1A
SCHEMBL1870363 0.92 DRD2 (0.59) DRD2HSD11B1PRCPADRA1A
SCHEMBL22260050 0.92 DRD2 (0.51) DRD2HSD11B1PRCP
SCHEMBL1865834 0.92 DRD2 (0.59) DRD2HSD11B1PRCPADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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
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
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 DRD2 966/4885HSD11B1 1112/4885PRCP 3987/4885
US-20160244433-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES CBR1, CBR3, CYP4Z1 DRD2 966/4885HSD11B1 1112/4885PRCP 3987/4885

“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.