Sugi Predict

Sugi Predict / Compounds / SCHEMBL910665

SCHEMBL910665

SCHEMBL910665

CN1C2CCCC1CC(Nc1ccc3[nH]ncc3c1)C2

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.62
▸ ROCK1 Q13464 10/20 0.62
▸ ARHGDIA P52565 3/20 0.62
▸ CYP3A4 P08684 1/20 0.55
▸ CCR2 P41597 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ APAF1 O14727 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5413381 0.95 ROCK2 (0.67) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5418009 0.88 ROCK2 (0.64) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL747066 0.87 ROCK2 (0.58) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL747065 0.87 ROCK2 (0.58) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5407741 0.85 ROCK2 (0.64) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5407772 0.84 ROCK2 (0.64) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5415450 0.84 ROCK2 (0.63) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5411026 0.83 KDM4E (0.71) ROCK2ROCK1CYP3A4CCR2KDM4E
SCHEMBL5404336 0.82 ROCK2 (0.70) ROCK2ROCK1ARHGDIACYP3A4CCR2
SCHEMBL5423856 0.82 ROCK2 (0.70) ROCK2ROCK1ARHGDIACYP3A4CCR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS Astraea Therapeutics (US) 2017-08-10 — — US claimed
EP-2523562-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Astraea Therapeutics, LLC (US) 2012-11-21 — — EP claimed
US-20110172264-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS ASTRAEA THERAPEUTICS, LLC 2011-07-14 — — US claimed
WO-2011085389-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS ASTRAEA THERAPEUTICS, LLC (US) 2011-07-14 — — WO claimed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 — — US claimed
US-20180318270-A1 Selective High Affinity Alpha3Beta4 Nicotinic Acetycholine Receptor Antagonists ASTRAEA THERAPEUTICS LLC (US) 2018-11-08 — — US disclosed
US-10085975-B2 Selective high affinity α3β4 nicotinic acetylcholine receptor antagonists Astraea Therapeutics, Inc. (US) 2018-10-02 — — US disclosed
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS Astraea Therapeutics (US) 2017-08-10 — — US disclosed
US-9670198-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2017-06-06 — — US disclosed
US-9062042-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2015-06-23 — — US disclosed
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Astraea Therapeutics (US) 2015-05-28 — — US disclosed
EP-2523562-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Astraea Therapeutics, LLC (US) 2012-11-21 — — EP disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 — — US disclosed
CN-101291931-A 9-azabicyclo [3.3.1]nonane derivatives as monoamine reuptake inhibitors ORGANON NV (NL) 2008-10-22 — — CN disclosed
EP-1934212-A1 9-AZABICYCLO [3 . 3 . 1]NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. Organon (NL) 2008-06-25 — — EP disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 — — US disclosed
WO-2007039563-A1 9-AZABICYCLO [3 . 3 . 1] NONANE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS N.V. ORGANON (NL) 2007-04-12 — — WO disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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 (7 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-20110172264-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA4, CHRNA3, CHRNA6 ROCK2 1562/4885ROCK1 1363/4885ARHGDIA 1029/4885
US-20180318270-A1 Selective High Affinity Alpha3Beta4 Nicotinic Acetycholine Receptor Antagonists CHRNA3, CHRNA4, CHRNA2 ROCK2 1849/4885ROCK1 2025/4885ARHGDIA 850/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA ROCK2 2/4885ROCK1 1/4885ARHGDIA 3/4885
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 ROCK2 1989/4885ROCK1 1286/4885ARHGDIA 735/4885
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRNA3, CHRNA4, CHRNB3 ROCK2 1804/4885ROCK1 1777/4885ARHGDIA 814/4885
US-10085975-B2 Selective high affinity α3β4 nicotinic acetylcholine receptor antagonists CHRNA3, CHRNA4, CHRNA2 ROCK2 1628/4885ROCK1 1574/4885ARHGDIA 779/4885
US-20150148541-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA4, CHRNA2 ROCK2 1561/4885ROCK1 1540/4885ARHGDIA 859/4885

“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.