SCHEMBL25833563

SCHEMBL25833563

CN(CCc1cccc(Cl)c1)CC1CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.61
AOC3 Q16853 1/20 0.58
SIGMAR1 Q99720 2/20 0.57
OPRM1 P35372 10/20 0.49
OPRK1 P41145 10/20 0.49
OPRD1 P41143 7/20 0.49
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
PYCR1 P32322 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 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
SCHEMBL12993155 0.84 PYCR1 (0.56) TAAR1AOC3SIGMAR1PYCR1
SCHEMBL25833522 0.79 TAAR1 (0.71) TAAR1AOC3SIGMAR1PYCR1HTR2A
SCHEMBL25833470 0.78 TAAR1 (0.65) TAAR1AOC3SIGMAR1PYCR1HTR2A
SCHEMBL3056908 0.77 TAAR1 (1.00) TAAR1AOC3SIGMAR1PYCR1
Hydrochloric Acid SCHEMBL8507687 0.75 TAAR1 (0.96) TAAR1AOC3SIGMAR1PYCR1
SCHEMBL19444655 0.75 TAAR1 (0.59) TAAR1AOC3SIGMAR1OPRM1OPRK1
SCHEMBL25852812 0.74 TAAR1 (0.63) TAAR1AOC3SIGMAR1DRD2DRD3
SCHEMBL14614771 0.74 PYCR1 (0.51) TAAR1AOC3SIGMAR1PYCR1
Ammonia Solution, Strong SCHEMBL9061818 0.71 TAAR1 (0.50) TAAR1AOC3SIGMAR1
SCHEMBL10678630 0.71 SIGMAR1 (0.61) AOC3SIGMAR1OPRM1OPRK1OPRD1

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-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 US disclosed
EP-4212531-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV Discovery (FR) 2023-07-19 EP 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-20230227451-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS MAPKAPK2, MAPK1, MAPK7 TAAR1 1183/4885AOC3 3111/4885SIGMAR1 2388/4885

“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.