SCHEMBL1610177

SCHEMBL1610177

Cn1cc2c(n1)CC[CH]C2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.35
DRD2 P14416 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL12489993 0.68 MAOA (0.45) DRD4DRD2
SCHEMBL20072399 0.67 COMT (0.32) DRD4ALDH1A1
SCHEMBL6421992 0.67 HTR2C (0.45) DRD4
SCHEMBL21484092 0.67 CYP2A6 (0.36) DRD4DRD2ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL28877979 0.65 HTR2C (0.44) DRD4
Hydrochloric Acid SCHEMBL31119454 0.65 HTR2C (0.44) DRD4
SCHEMBL29341580 0.64 PDK2 (0.33) DRD4
SCHEMBL4429320 0.64 PLAU (0.40) DRD2ALDH1A1MAPT
SCHEMBL25111641 0.63 PDK2 (0.38) DRD4
Hydrochloric Acid SCHEMBL4425502 0.63 PLAU (0.39) DRD2ALDH1A1MAPT

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-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
EP-2237669-A2 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2010-10-13 EP disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 DRD4 1217/4885DRD2 1861/4885ALDH1A1 1562/4885

“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.