SCHEMBL2818908

SCHEMBL2818908

COc1cccc2c1CCCC2O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
SIGMAR1 Q99720 4/20 0.53
KMT2A Q03164 1/20 0.53
TAS1R3 Q7RTX0 3/20 0.50
TAS1R1 Q7RTX1 3/20 0.50
TAS1R2 Q8TE23 3/20 0.50
HSD11B1 P28845 1/20 0.50
CYP19A1 P11511 1/20 0.47

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
SCHEMBL6804047 0.90 POLL (0.62) POLLCA1CA2KMT2AHSD11B1
SCHEMBL1508668 0.90 POLL (0.62) POLLCA1CA2KMT2AHSD11B1
SCHEMBL9005283 0.81 CA1 (0.56) CA1CA2SIGMAR1KMT2AHSD11B1
SCHEMBL10226366 0.81 SIGMAR1 (0.54) CA1CA2SIGMAR1HSD11B1
SCHEMBL10602964 0.80 CA1 (0.58) CA1CA2SIGMAR1TAS1R3TAS1R1
SCHEMBL15161143 0.80 CA1 (0.55) CA1CA2SIGMAR1TAS1R3TAS1R1
SCHEMBL7510096 0.80 CA1 (0.55) CA1CA2SIGMAR1TAS1R3TAS1R1
SCHEMBL1565397 0.80 CA1 (0.58) CA1CA2SIGMAR1TAS1R3TAS1R1
SCHEMBL7680743 0.80 CA1 (0.55) CA1CA2SIGMAR1TAS1R3TAS1R1
SCHEMBL265136 0.80 CA1 (0.58) CA1CA2SIGMAR1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US claimed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
US-6417183-B1 DRUGS RELATES TO 1,4-DIAZACYCLOHEPTANES, TO PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND TO THEIR USE IN METHODS OF THERAPEUTIC TREATMENT OF NERVOUS SYSTEM DISORDERS ASTRAZENELA UK LIMITED (GB) 2002-07-09 US disclosed
WO-2000068230-A1 9-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)-1,9-DIHYDROPURIN-6-ONE DERIVATIVES AS PDE7 INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2000-11-16 WO disclosed
EP-0260555-B1 BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-22 EP disclosed
EP-0230967-B1 BENZAZECINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-10-23 EP disclosed
US-5043350-A Analgesics, diuretics DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-27 US disclosed
US-5010085-A Analgesis and/or diuretics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-23 US disclosed
US-4957911-A LEARNING ENHANCEMENT HOFFMANN-LA ROCHE INC. (US) 1990-09-18 US disclosed
US-4929627-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-29 US disclosed
US-4876269-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-24 US disclosed
US-4876340-A Benzazecine derivatives for cognitive and memory functions HOFFMANN-LA ROCHE INC. (US) 1989-10-24 US disclosed
US-4749791-A Benzo[f]quinoline intermediates HOFFMANN-LA ROCHE INC. (US) 1988-06-07 US disclosed
EP-0260555-A1 Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-03-23 EP disclosed
US-4732979-A CEREBRAL INSUFFICIENCY HOFFMANN-LA ROCHE INC. (US) 1988-03-22 US disclosed
EP-0230967-A2 Benzazecine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-08-05 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 (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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 POLL 3314/4885CA1 1469/4885CA2 825/4885

“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.