SCHEMBL10193024

SCHEMBL10193024

CCC(CC)c1nc(C)no1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACHE P22303 1/20 0.31
CXCR1 P25024 1/20 0.30
CXCR2 P25025 1/20 0.30
S1PR1 P21453 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
SCHEMBL469211 0.88 CXCR1 (0.31) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL469207 0.80 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL10192262 0.80 MAPT (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL15934138 0.78 ACHE (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL12262819 0.78 ACHE (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL20628462 0.78 ACHE (0.32) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL23545040 0.77 OPRM1 (0.33) ACHE
SCHEMBL21026098 0.77 OPRM1 (0.33) ACHE
SCHEMBL15931969 0.76 GPR119 (0.35)
SCHEMBL10153379 0.75 MAPT (0.30) MAPTCYP2C9CYP2C19SMN1; SMN2HSD17B10

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 4 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
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US 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 (3 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 MAPT 3730/4885CYP2C9 18/4885CYP2C19 108/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 MAPT 4176/4885CYP2C9 3765/4885CYP2C19 3386/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 MAPT 4011/4885CYP2C9 4126/4885CYP2C19 3755/4885

“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.