SCHEMBL16635558

SCHEMBL16635558

c1ccc2c(c1)CCCCC2C1CCCCN1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
PRCP P42785 2/20 0.46
HSD11B1 P28845 1/20 0.46
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
PARP1 P09874 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL7436023 0.97 DRD2 (0.49) DRD2PRCPHSD11B1GRIN1GRIN2A
SCHEMBL1721627 0.92 DRD2 (0.54) DRD2PRCPHSD11B1PARP1SIGMAR1
SCHEMBL16635902 0.92 DRD2 (0.54) DRD2PRCPHSD11B1
SCHEMBL16635796 0.92 PRCP (0.47) DRD2PRCPHSD11B1GRIN1GRIN2A
SCHEMBL5764743 0.90 PRCP (0.57) DRD2PRCPPARP1
SCHEMBL1865836 0.87 DRD2 (0.59) DRD2PRCPHSD11B1
SCHEMBL22260050 0.87 DRD2 (0.51) DRD2PRCPHSD11B1
SCHEMBL18032810 0.87 DRD2 (0.51) DRD2PRCPHSD11B1
SCHEMBL9963997 0.87 DRD2 (0.59) DRD2PRCPHSD11B1
SCHEMBL1870363 0.87 DRD2 (0.59) DRD2PRCPHSD11B1

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

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

“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.