SCHEMBL20876290

SCHEMBL20876290

C[CH]C1(c2ccc(Br)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 2/20 0.34
LIG1 P18858 1/20 0.32

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
SCHEMBL22361964 0.91 LIG1 (0.37) CYP2A6ALDH1A1TAAR1OPRM1OPRD1
SCHEMBL20876288 0.77 SLC6A3 (0.39) OPRM1LIG1
SCHEMBL20876286 0.77 SLC6A4 (0.40) CYP2A6OPRM1
SCHEMBL4046273 0.77 CYP2A6 (0.36) CYP2A6TAAR1OPRM1OPRD1OPRK1
SCHEMBL31219459 0.77 CYP2A6 (0.36) CYP2A6TAAR1OPRM1OPRD1OPRK1
SCHEMBL498413 0.76 OPRL1 (0.50) TAAR1OPRM1OPRK1OPRL1
SCHEMBL22361962 0.75 ALDH1A1 (0.39) ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL10476540 0.70 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1
SCHEMBL22361954 0.70 SLC6A4 (0.42) ALDH1A1OPRK1LIG1
SCHEMBL22361952 0.70 SLC6A3 (0.46) OPRK1

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-20200267977-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-08-27 US disclosed
EP-3692019-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES Syngenta Participations AG (CH) 2020-08-12 EP disclosed
CN-111183133-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-05-19 CN disclosed
WO-2019068812-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 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-20200267977-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES PRF1, CASP1, FPR1 CYP2A6 622/4885ALDH1A1 1067/4885TAAR1 1165/4885

“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.