SCHEMBL4869830

SCHEMBL4869830

CN1CC[C@H](c2ccc(S)cc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HTR6 P50406 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR5A P47898 1/20 0.40

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
SCHEMBL6615041 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL4876589 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL4874534 0.90 QDPR (0.39) SLC6A2SLC6A4SLC6A3KCNH2HTR6
SCHEMBL1824248 0.84 MEN1 (0.46) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL1824302 0.81 OPRL1 (0.46) SLC6A2SLC6A4SLC6A3KCNH2HTR6
SCHEMBL8088234 0.77 KDM4E (0.53) KDM4EATMHTR6HTR1AHTR1D
SCHEMBL1822196 0.74 KDM4E (0.47) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL4969638 0.73 OPRL1 (0.47) HTR1AHTR1D
SCHEMBL2215498 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2KDM4E
SCHEMBL14924437 0.72 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3HTR1DHTR1B

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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 — — US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 — — US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 — — EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 — — WO 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 SLC6A2 236/4885SLC6A4 176/4885SLC6A3 203/4885

“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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