Sugi Predict

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SCHEMBL4869781

SCHEMBL4869781

Cc1cc2[nH]c(=O)ccc2c(C)c1SC1CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1F P30939 1/20 0.41
▸ PARP14 Q460N5 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TNKS2 Q9H2K2 2/20 0.32
▸ PLG P00747 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ VCP P55072 1/20 0.32
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL14573435 0.83 HTR3A (0.35) KDM4ETP53SMN1; SMN2ALDH1A1GLA
SCHEMBL5634821 0.83 HTR3A (0.35) KDM4ETP53SMN1; SMN2ALDH1A1GLA
SCHEMBL4876645 0.80 HTR1F (0.38) HTR1FPARP14TSHRDRD2DRD4
SCHEMBL4873755 0.80 HTR1F (0.38) HTR1FPARP14TSHRTP53SMN1; SMN2
SCHEMBL4873979 0.72 MEN1 (0.46) HTR1FMAOAMAOBPDE3BPDE3A
SCHEMBL9174511 0.65 LMNA (0.42) TSHRKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL9175154 0.65 HTR6 (0.47) TSHRALDH1A1
SCHEMBL4864470 0.64 MEN1 (0.37) HTR1FPARP14MAOAMAOBTSHR
SCHEMBL14573434 0.64 CYP2D6 (0.32) TSHRTP53SMN1; SMN2GAADRD3
SCHEMBL5636939 0.64 CYP2D6 (0.32) TSHRTP53SMN1; SMN2GAADRD3

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 HTR1F 821/4885PARP14 3904/4885MAOA 514/4885

“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.