Sugi Predict

Sugi Predict / Compounds / SCHEMBL4873266

SCHEMBL4873266

SCHEMBL4873266

CN1CCC(Sc2ccc3[nH]c(=S)n(C)c3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 4/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PGR P06401 3/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ AR P10275 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HRH4 Q9H3N8 2/20 0.30
▸ HRH3 Q9Y5N1 2/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL4873513 0.84 LMNA (0.42) PGRHTR1FMAOAMAOB
SCHEMBL4866393 0.74 POLB (0.42) HRH4HRH3HTR1FMAOAMAOB
SCHEMBL4873979 0.72 MEN1 (0.46) HRH4HRH3HTR1FMAOAMAOB
SCHEMBL4870102 0.72 PSMB8 (0.43) PSMB8NPSR1RXFP1ALDH1A1HRH4
SCHEMBL4873776 0.72 ADORA3 (0.44) ALDH1A1HPGDKDM4EHTR1FMAOA
SCHEMBL4876425 0.71 MEN1 (0.52) ALDH1A1KDM4E
SCHEMBL4873424 0.70 CA12 (0.39) SMN1; SMN2ALDH1A1HPGDKDM4EHTR1F
SCHEMBL12049742 0.67 KMT2A (0.45) SMN1; SMN2CARM1PRMT6ALDH1A1HPGD
SCHEMBL14082421 0.66 GAA (0.36) SMN1; SMN2CARM1PRMT6ALDH1A1HTR1D
SCHEMBL18758727 0.66 POLB (0.50) CARM1PRMT6

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 6 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-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 — — US disclosed
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 PSMB8 2757/4885NPSR1 89/4885RXFP1 907/4885

“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.