SCHEMBL4014092

SCHEMBL4014092

CCC[C@@H]1CC[C@@H](CCC)N1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR5 Q9H228 2/20 0.44
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4011481 1.00 S1PR2 (0.44) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4015251 1.00 S1PR2 (0.44) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4011475 1.00 S1PR2 (0.44) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL19441221 0.92 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL15534599 0.92 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL14823590 0.89 S1PR2 (0.52) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL10713383 0.88 S1PR2 (0.46) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL9820755 0.87 S1PR2 (0.38) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL4369973 0.87 S1PR2 (0.38) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL15508649 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 US disclosed
US-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1664011-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-02-25 EP disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 US disclosed
US-7414067-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-19 US disclosed
US-7414067-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2008-08-19 US disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO disclosed
EP-1581503-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2007-07-25 EP disclosed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1664011-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2006-06-07 EP disclosed
US-20060020000-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-01-26 US disclosed
EP-1581503-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-10-05 EP disclosed
WO-2005020917-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2005-03-10 WO disclosed
WO-2004043354-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2004-05-27 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 (5 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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 S1PR2 907/4885S1PR4 1816/4885S1PR1 1009/4885
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 S1PR2 885/4885S1PR4 1898/4885S1PR1 759/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 S1PR2 882/4885S1PR4 1921/4885S1PR1 845/4885
US-20060020000-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 S1PR2 882/4885S1PR4 1921/4885S1PR1 845/4885
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 S1PR2 875/4885S1PR4 1742/4885S1PR1 1058/4885

“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.