SCHEMBL21037498

SCHEMBL21037498

CN1CCC(c2cc(C(F)(F)F)ccn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 13/20 0.55
▸ MAPK11 Q15759 2/20 0.44
▸ MAPK14 Q16539 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ADRB1 P08588 1/20 0.42

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
SCHEMBL2338512 0.85 NOS3 (0.50) MAP3K12MAPK1ADRB1
SCHEMBL13063398 0.84 MAP3K12 (0.45) MAP3K12MAPK1ADRB1
SCHEMBL21037497 0.84 HRH3 (0.48) MAP3K12ADRB1
SCHEMBL20091120 0.83 MAP3K12 (0.65) MAP3K12
SCHEMBL28284245 0.82 NOS3 (0.47) MAP3K12MAPK1ADRB1
SCHEMBL28282678 0.81 NOS3 (0.46) MAP3K12MAPK1ADRB1
SCHEMBL7074219 0.78 MAPK1 (0.58) MAP3K12MAPK11MAPK14MAPK1ADRB1
SCHEMBL14186230 0.78 CCR1 (0.53) MAP3K12MAPK11MAPK14ALDH1A1
SCHEMBL22325025 0.77 ADRB1 (0.42) MAP3K12MAPK1ADRB1
SCHEMBL21037760 0.77 KCNH2 (0.47) MAP3K12MAPK11MAPK14ALDH1A1

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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-05-30 — — 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-20190161499-A1 PESTICIDALLY ACTIVE 1,2,4-TRIAZOLE DERIVATIVES ACHE, AADAC, ATL3 MAP3K12 4165/4885MAPK11 4593/4885MAPK14 3950/4885

“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.

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