SCHEMBL31209055

SCHEMBL31209055

[2H]C([2H])([2H])C(N1CCN([C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1)C([2H])([2H])[2H]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP2C19 P33261 1/20 0.49
▸ TMEM97 Q5BJF2 6/20 0.46
▸ SIGMAR1 Q99720 6/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HRH2 P25021 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43

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
SCHEMBL14529819 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL30773875 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL29259987 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL31208984 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL29260012 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL31085865 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL29260212 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL30929221 0.80 MEN1 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL31085811 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22609548 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 — — 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS SMN1; SMN2 4044/4885NPC1 1419/4885RAB9A 41/4885

“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.

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