SCHEMBL13064465

SCHEMBL13064465

CCOc1cnc2cc(Cl)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL21471161 0.85 HTT (0.58) HRH4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18470229 0.80 HPGD (0.43) HRH4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL13020201 0.79 HRH4 (0.44) HRH4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28531355 0.78 ALDH1A1 (0.45) HRH4CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL23229125 0.77 ALDH1A1 (0.64) CYP1A2CYP2C9CYP2C19HTTL3MBTL1
SCHEMBL18579907 0.76 HTT (0.51) HRH4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL10271340 0.76 HRH4 (0.51) HRH4CYP1A2ALDH1A1KDM4EKMT2A
SCHEMBL9752134 0.75 F2RL3 (0.54) HRH4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17859587 0.75 HTT (0.66) HRH4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18612170 0.75 HTT (0.66) HRH4CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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 (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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 HRH4 3676/4885CYP1A2 20/4885CYP2C9 531/4885

“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.