SCHEMBL22585523

SCHEMBL22585523

COCC(c1ccccc1)n1cc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.40
HPGD P15428 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
APLNR P35414 7/20 0.37
EGFR P00533 1/20 0.34
ITK Q08881 2/20 0.33
CREBBP Q92793 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TACR1 P25103 4/20 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
SCHEMBL14858160 0.83 HPGD (0.36) HPGDOPRK1ITKCREBBP
SCHEMBL22585969 0.82 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1APLNR
SCHEMBL22559147 0.80 KLKB1 (0.42) HPGDOPRL1ITK
SCHEMBL29185752 0.80 KLKB1 (0.42) HPGDOPRL1ITK
SCHEMBL28668460 0.74 CREBBP (0.51) CREBBP
SCHEMBL22558843 0.74 FFAR1 (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL14857943 0.74 CYP19A1 (0.47) OPRM1HPGDOPRD1OPRK1OPRL1
SCHEMBL14857690 0.71 OPRM1 (0.36) OPRM1HPGDOPRD1OPRK1OPRL1
SCHEMBL13738764 0.70 MMP8 (0.45) CHRM2CHRM1
SCHEMBL30062367 0.70 MMP8 (0.45) CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230086702-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A]PYRIDINE DERIVATIVES AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2023-03-23 US disclosed
WO-2020215094-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A] PYRIDINE DERIVATIVES AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2020-10-22 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-20230086702-A1 SUBSTITUTED 2-AMINO-PYRAZOLYL-[1,2,4]TRIAZOLO[1,5A]PYRIDINE DERIVATIVES AND USE THEREOF SNCA, PSEN2, PRNP OPRM1 3518/4885HPGD 1398/4885OPRD1 3603/4885

“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.