SCHEMBL25833598

SCHEMBL25833598

CN(C)CCc1ccc(F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.61
HRH3 Q9Y5N1 5/20 0.54
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
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR7 P34969 2/20 0.43
AOC3 Q16853 1/20 0.42
DAO P14920 1/20 0.41
HTT P42858 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
SCHEMBL6249755 0.84 TAAR1 (0.57) TAAR1HRH3MEN1ALDH1A1TP53
SCHEMBL29204036 0.82 TAAR1 (0.55) TAAR1HRH3
SCHEMBL20081762 0.82 TAAR1 (0.55) TAAR1HRH3MEN1ALDH1A1TP53
SCHEMBL25430010 0.82 TAAR1 (0.55) TAAR1HRH3MEN1ALDH1A1TP53
SCHEMBL11955566 0.81 TAAR1 (0.53) TAAR1HRH3MEN1ALDH1A1TP53
SCHEMBL8508740 0.80 CYP1A2 (0.57) TAAR1ALDH1A1CYP1A2HTR7AOC3
SCHEMBL11947342 0.80 TAAR1 (0.52) TAAR1HRH3MEN1ALDH1A1TP53
SCHEMBL16105820 0.79 DAO (0.55) TAAR1ALDH1A1DAOHTT
SCHEMBL23972532 0.78 HRH3 (0.50) TAAR1HRH3ALDH1A1HTR7HTT
SCHEMBL18762839 0.77 HRH3 (0.84) TAAR1HRH3MEN1ALDH1A1TP53

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 1 patent. 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

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 1183/4885HRH3 2291/4885MEN1 2175/4885

“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.