SCHEMBL20320555

SCHEMBL20320555

Cc1cc(C2(C#N)CC2)no1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
OPRM1 P35372 1/20 0.30
MBOAT4 Q96T53 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
SCHEMBL16590521 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3TRPM8KMT2A
SCHEMBL20320549 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3TRPM8KMT2A
SCHEMBL20320628 0.70 HCAR2 (0.32) OPRM1
SCHEMBL31381912 0.69 MAP3K12 (0.31)
SCHEMBL24072577 0.69 TRPM8 (0.38) SLC6A2SLC6A4SLC6A3TRPM8KMT2A
SCHEMBL20320551 0.68 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3TRPM8KMT2A
SCHEMBL12310471 0.68 TRPM8 (0.37) SLC6A2SLC6A4SLC6A3TRPM8KMT2A
SCHEMBL16454358 0.67 LRRK2 (0.34) OPRM1
SCHEMBL29138452 0.67 KMT2A (0.35) SLC6A2SLC6A4SLC6A3TRPM8KMT2A
SCHEMBL24072576 0.67 TRPM8 (0.36) SLC6A2SLC6A4SLC6A3TRPM8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS SLC6A2 1743/4885SLC6A4 1500/4885SLC6A3 1274/4885

“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.