SCHEMBL22436670

SCHEMBL22436670

[CH]1CCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
PNMT P11086 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 1/20 0.38
HTR2A P28223 1/20 0.38
AKR1C1 Q04828 1/20 0.38

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
SCHEMBL4599737 0.77 OPRM1 (0.40) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL22436666 0.74 MAOB (0.40) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL22436643 0.74 DRD2 (0.42) OPRM1MAOAMAOB
SCHEMBL22436647 0.74 MAOB (0.41) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL23672531 0.72 ACHE (0.44) OPRM1OPRK1OPRL1HTR2A
SCHEMBL28842125 0.69 OPRM1 (0.44) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL2256573 0.67 OPRM1 (0.67) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL2256575 0.67 OPRM1 (0.67) OPRM1OPRK1OPRL1MAOAMAOB
SCHEMBL23672528 0.65 HDAC4 (0.42) OPRM1OPRK1OPRL1
SCHEMBL28719542 0.65 TSHR (0.43) OPRM1OPRK1OPRL1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111344279-B Microbiocidal picolinamide derivatives 先正达参股股份有限公司 2023-07-07 CN disclosed
EP-3710429-B1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-04-05 EP disclosed
US-20210227826-A1 Microbiocidal Picolinamide Derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-07-29 US disclosed
EP-3710429-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES Syngenta Participations AG (CH) 2020-09-23 EP disclosed
CN-111344279-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-06-26 CN 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-20210227826-A1 Microbiocidal Picolinamide Derivatives CASP2, CASP1, MSR1 OPRM1 3130/4885OPRK1 4541/4885OPRL1 2683/4885

“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.