SCHEMBL1141444

SCHEMBL1141444

COCCCS(=O)(=O)c1ccc(-c2ccccc2CCN2CCCC2C)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.74
▸ KCNH2 Q12809 7/20 0.74

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
SCHEMBL1141441 1.00 HRH3 (0.74) HRH3KCNH2
SCHEMBL1128120 0.85 KCNH2 (1.00) HRH3KCNH2
SCHEMBL1128396 0.85 KCNH2 (1.00) HRH3KCNH2
Hydrochloric Acid SCHEMBL1141464 0.84 KCNH2 (0.98) HRH3KCNH2
Hydrochloric Acid SCHEMBL1141460 0.84 KCNH2 (0.98) HRH3KCNH2
SCHEMBL1939700 0.79 KCNH2 (1.00) HRH3KCNH2
SCHEMBL1938186 0.79 KCNH2 (1.00) HRH3KCNH2
SCHEMBL1939411 0.79 KCNH2 (1.00) HRH3KCNH2
Hydrochloric Acid SCHEMBL1939603 0.79 KCNH2 (0.98) HRH3KCNH2
Hydrochloric Acid SCHEMBL1939605 0.79 KCNH2 (0.98) HRH3KCNH2

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-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE ARENA PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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-20110040105-A1 PROCESSES USEFUL FOR THE SYNTHESIS OF (R)-1--2-METHYL-PYRROLIDINE DHPS, MRM1, ALDH18A1 HRH3 2097/4885KCNH2 2327/4885

“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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