SCHEMBL25833470

SCHEMBL25833470

CN(CCc1cccc(Cl)c1)C1CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.65
AOC3 Q16853 1/20 0.61
SIGMAR1 Q99720 2/20 0.52
CHI3L1 P36222 1/20 0.48
CHIT1 Q13231 1/20 0.48
CHI3L2 Q15782 1/20 0.48
CHIA Q9BZP6 1/20 0.48
HTR2A P28223 1/20 0.48
GRIN2B Q13224 2/20 0.45
PYCR1 P32322 1/20 0.42
PNMT P11086 2/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
MBTPS1 Q14703 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL19444655 0.92 TAAR1 (0.59) TAAR1AOC3SIGMAR1CHI3L1CHIT1
SCHEMBL1970244 0.82 TAAR1 (0.49) TAAR1CHI3L1CHIT1CHI3L2CHIA
SCHEMBL27837194 0.81 TAAR1 (0.65) TAAR1SIGMAR1CHIT1CHIAHTR2A
SCHEMBL27817745 0.80 CHIT1 (0.63) TAAR1AOC3SIGMAR1CHI3L1CHIT1
SCHEMBL3056908 0.79 TAAR1 (1.00) TAAR1AOC3SIGMAR1PYCR1PNMT
SCHEMBL1967143 0.79 GRIN2B (0.63) TAAR1AOC3SIGMAR1CHIAHTR2A
SCHEMBL25833563 0.78 TAAR1 (0.61) TAAR1AOC3SIGMAR1HTR2APYCR1
SCHEMBL1965728 0.78 AOC3 (0.63) TAAR1AOC3SIGMAR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8507687 0.78 TAAR1 (0.96) TAAR1AOC3SIGMAR1PYCR1PNMT
SCHEMBL25833522 0.75 TAAR1 (0.71) TAAR1AOC3SIGMAR1HTR2APYCR1

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.