SCHEMBL19783983

SCHEMBL19783983

O=c1cn[nH]c(=O)n1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ GRIN1 Q05586 7/20 0.39
▸ GRIN2B Q13224 7/20 0.39
▸ TRPC5 Q9UL62 2/20 0.38
▸ MTOR P42345 3/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PDE5A O76074 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL16371030 0.75 ALDH1A1 (0.38) ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL14761347 0.72 METAP2 (0.38) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL21853425 0.70 ALDH1A1 (0.40) ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL11239424 0.70 ADORA2B (0.40) ALDH1A1ADORA2B
SCHEMBL19783978 0.70 METAP2 (0.39) METAP2
SCHEMBL11251405 0.70 CYP3A4 (0.43) ALDH1A1CYP3A4KMT2ASMN1; SMN2KDM4E
SCHEMBL8798103 0.69 TSHR (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2PDE4A
SCHEMBL1545981 0.68 MEN1 (0.61) ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL7476910 0.67 KDM4E (0.41) ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL10823255 0.66 ALDH1A1 (0.42) ALDH1A1MEN1CYP3A4KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484877-B1 BICYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2020-07-01 — — EP disclosed
US-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-03 — — US disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 — — 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-20190297887-A1 BICYCLIC COMPOUNDS AS PESTICIDES DDT, BCHE, ACHE ALDH1A1 3199/4885MEN1 3934/4885CYP3A4 379/4885

“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.

Send feedback