SCHEMBL25833522

SCHEMBL25833522

CCN(C)CCc1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.71
AOC3 Q16853 1/20 0.67
SIGMAR1 Q99720 3/20 0.60
PYCR1 P32322 1/20 0.49
PNMT P11086 2/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3056908 0.83 TAAR1 (1.00) TAAR1AOC3SIGMAR1PYCR1PNMT
SCHEMBL10294677 0.81 PYCR1 (0.65) TAAR1AOC3PYCR1PNMTALDH1A1
Hydrochloric Acid SCHEMBL8507687 0.81 TAAR1 (0.96) TAAR1AOC3SIGMAR1PYCR1PNMT
SCHEMBL25852812 0.80 TAAR1 (0.63) TAAR1AOC3SIGMAR1PYCR1PNMT
SCHEMBL25833563 0.79 TAAR1 (0.61) TAAR1AOC3SIGMAR1PYCR1HTR2A
SCHEMBL12128216 0.77 TAAR1 (0.58) TAAR1AOC3
SCHEMBL8293202 0.77 TAAR1 (0.64) TAAR1AOC3SIGMAR1CHRM2CHRM1
SCHEMBL91272 0.77 TAAR1 (0.63) TAAR1AOC3PNMTHTR3EHTR3B
SCHEMBL29848342 0.77 TAAR1 (0.63) TAAR1AOC3PNMTHTR3EHTR3B
SCHEMBL11300491 0.76 TAAR1 (0.79) TAAR1AOC3SIGMAR1PYCR1PNMT

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.