SCHEMBL16635837

SCHEMBL16635837

Clc1cc(Cl)c2c(c1)CCC2C1CCCN1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.40
SRD5A1 P18405 1/20 0.34
HSD11B1 P28845 1/20 0.33
DRD2 P14416 1/20 0.32
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL16635480 0.73 ADRA1A (0.40) ADRA1AHSD11B1DRD2
SCHEMBL4402465 0.67 DRD2 (0.50) HSD11B1DRD2
SCHEMBL15129202 0.66 P2RX7 (0.36) DRD2P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL30686715 0.66 P2RX7 (0.39) ADRA1AP2RX7SLC6A2SLC6A3
SCHEMBL15129214 0.66 P2RX7 (0.36) DRD2P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL24387441 0.66 P2RX7 (0.39) ADRA1AP2RX7SLC6A2SLC6A3
SCHEMBL15129304 0.66 P2RX7 (0.36) DRD2P2RX7SLC6A2SLC6A4SLC6A3
SCHEMBL31579650 0.66 MAOA (0.42) DRD2
SCHEMBL31579866 0.66 MAOA (0.42) DRD2
SCHEMBL31579487 0.66 MAOA (0.42) DRD2

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 6 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
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 ADRA1A 2449/4885SRD5A1 294/4885HSD11B1 1112/4885
US-20160244433-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES CBR1, CBR3, CYP4Z1 ADRA1A 2449/4885SRD5A1 294/4885HSD11B1 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.