SCHEMBL9105061

SCHEMBL9105061

Cc1cc(C(=O)N(C)[C@H](CN2CCCC2)C(C)C)ccc1F.O=C(O)CC(O)(O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL9102709 0.89 CHRM2 (0.41) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9102725 0.89 CHRM2 (0.41) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9103204 0.87 CHRM2 (0.39) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9103197 0.87 CHRM2 (0.39) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9102281 0.81 CHRM2 (0.40) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9288110 0.80 MAOA (0.36) MAPK14
SCHEMBL9288106 0.80 MAOA (0.36) MAPK14
SCHEMBL9100703 0.79 HRH3 (0.39) HRH3
SCHEMBL9105377 0.79 MEN1 (0.39) CHRM2ADRA2BDRD3SIGMAR1HRH3
SCHEMBL9100697 0.79 HRH3 (0.39) HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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 (2 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MAPK14 2335/4885CHRM2 55/4885ADRA2B 165/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MAPK14 2335/4885CHRM2 55/4885ADRA2B 165/4885

“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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