SCHEMBL5279552

SCHEMBL5279552

CCc1nnn(C(C)C)c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
MAOA P21397 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5279059 0.83 GABRB3 (0.38) GABRB3GABRA2GABRB2MAOA
SCHEMBL5280268 0.81 CACNA2D1 (0.33) MAOACYP1A2CYP2C19POLBALDH1A1
SCHEMBL5273774 0.80 MAOA (0.35) GABRB3GABRA2GABRB2MAOA
SCHEMBL5281595 0.78 GABRB3 (0.35) GABRB3GABRA2GABRB2CYP1A2CYP2C19
SCHEMBL5277345 0.78 CYP1A2 (0.34) GABRB3GABRA2GABRB2CYP1A2CYP2C19
SCHEMBL5279977 0.78 MAOA (0.30) MAOA
SCHEMBL5279026 0.77 TOP2A (0.32) CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5278341 0.77 ALDH1A1 (0.30) CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5281328 0.77 TOP2A (0.32) CYP1A2CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5278231 0.75 GABRB3 (0.40) GABRB3GABRA2GABRB2

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
US-10750742-B2 Pesticidally active pyrazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-08-25 US disclosed
US-20190014783-A1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-17 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-20190014783-A1 PESTICIDALLY ACTIVE PYRAZOLE DERIVATIVES ACHE, AADAC, CAT GABRB3 1064/4885GABRA2 2573/4885GABRB2 1705/4885
US-10750742-B2 Pesticidally active pyrazole derivatives ACHE, AADAC, CAT GABRB3 1064/4885GABRA2 2573/4885GABRB2 1705/4885

“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.