SCHEMBL4475967

SCHEMBL4475967

COc1ccc(SC2CC3CCC(C2)N3C)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 4/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
SCHEMBL5635722 1.00 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2GRIN1GRIN2B
SCHEMBL5636476 0.82 DDB1 (0.46) SLC6A3SLC6A2CHRM2CHRM1CHRM3
SCHEMBL14573359 0.82 DDB1 (0.46) SLC6A3SLC6A2CHRM2CHRM1CHRM3
SCHEMBL5636477 0.82 DDB1 (0.46) SLC6A3SLC6A2CHRM2CHRM1CHRM3
SCHEMBL7940536 0.80 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2CHRM1
SCHEMBL7940689 0.80 CHRM1 (0.50) SLC6A3SLC6A4SLC6A2GRIN1GRIN2B
SCHEMBL5636304 0.80 SLC6A2 (0.40) SLC6A3SLC6A4SLC6A2DDB1CRBN
SCHEMBL5636307 0.80 SLC6A2 (0.40) SLC6A3SLC6A4SLC6A2DDB1CRBN
SCHEMBL5634899 0.80 SLC6A2 (0.50) SLC6A3SLC6A4SLC6A2CHRM2CHRM1
SCHEMBL5634904 0.80 SLC6A2 (0.50) SLC6A3SLC6A4SLC6A2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494992-B2 Antiparasitic terpene alkaloids PFIZER INC. (US) 2009-02-24 US disclosed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-20070185101-A1 Antiparasitic terpene alkaloids PFIZER PRODUCTS INC 2007-08-09 US disclosed
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
EP-1597264-A2 ANTIPARASITIC TERPENE ALKALOIDS Pfizer Limited (GB) 2005-11-23 EP disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
US-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2005-03-03 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2004072086-A2 ANTIPARASITIC TERPENE ALKALOIDS PFIZER LIMITED (GB) 2004-08-26 WO disclosed
EP-1447405-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES INHIBITING AUTO-PHOSPHORYLATION OF FIBROBLAST GROWTH FACTOR RECEPTORS KIRIN BEER KABUSHIKI KAISHA (JP) 2004-08-18 EP disclosed
WO-2003062235-A1 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 (4 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-20070185101-A1 Antiparasitic terpene alkaloids CYP51A1, DHPS, CYP8B1 SLC6A3 1580/4885SLC6A4 2221/4885SLC6A2 1939/4885
US-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 SLC6A3 71/4885SLC6A4 153/4885SLC6A2 46/4885
US-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors FGFR1, FGFR2, FGFR3 SLC6A3 1519/4885SLC6A4 2045/4885SLC6A2 2111/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 SLC6A3 284/4885SLC6A4 372/4885SLC6A2 232/4885

“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.