SCHEMBL1978499

SCHEMBL1978499

O=C1CC2CC1N(C(=O)OCc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2C P28335 1/20 0.44
PARP1 P09874 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL1977550 0.88 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9560230 0.86 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2282075 0.79 HTR2C (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12458051 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL927563 0.77 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3383423 0.76 SMN1; SMN2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19251183 0.76 HTR2C (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22778699 0.76 AGTR2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9042113 0.75 PREP (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11274563 0.75 F2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835457-B2 Bridged bicyclic RHO kinase inhibitor compounds, compositions and use MERCK SHARP & DOHME CORP. (US) 2014-09-16 US disclosed
US-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE MERCK SHARP & DOHME LLC 2013-10-24 US disclosed
US-8476295-B2 Bridged bicyclic RHO kinase inhibitor compounds, composition and use Inspire (US) 2013-07-02 US disclosed
EP-2512239-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2012-10-24 EP disclosed
WO-2011075415-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2011-06-23 WO disclosed
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
EP-0540625-A1 NOVEL SPIRO-ISOXAZOLIDINE DERIVATIVES AS CHOLINERGIC AGENTS FISONS CORPORATION (US) 1993-05-12 EP disclosed
WO-1992001690-A1 NOVEL SPIRO-ISOXAZOLIDINE DERIVATIVES AS CHOLINERGIC AGENTS FISONS CORPORATION (US) 1992-02-06 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 (2 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-20130281485-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND USE ROCK1, RHOA, ROCK2 PSEN1 2839/4885PSEN2 4085/4885APH1B 4560/4885
US-20110144150-A1 BRIDGED BICYCLIC RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK1, RHOA, ROCK2 PSEN1 2731/4885PSEN2 4021/4885APH1B 4533/4885

“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.