SCHEMBL1198782

SCHEMBL1198782

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1nccs1)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ PDE10A Q9Y233 2/20 0.44
▸ HCRTR2 O43614 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL1199601 0.85 PDE7A (0.43) PDE7APDE3APDE10AHCRTR2CA12
SCHEMBL12046632 0.84 PDE7A (0.43) PDE7APDE3APDE10AHCRTR2CA12
SCHEMBL12046645 0.84 KCNK3 (0.42) PDE7APDE3APDE10AHCRTR2ACHE
SCHEMBL12046644 0.83 PDE7A (0.42) PDE7APDE3APDE10AHCRTR2
SCHEMBL1199219 0.83 PDE7A (0.42) PDE7APDE3APDE10A
SCHEMBL1199362 0.83 PDE7A (0.42) PDE7APDE3APDE10ACA12CA2
SCHEMBL1199331 0.83 PDE10A (0.42) PDE7APDE3APDE10ACA12CA2
SCHEMBL1199741 0.82 RAD52 (0.45) PDE7APDE3APDE10A
SCHEMBL1199686 0.82 PDE10A (0.42) PDE7APDE3APDE10AHCRTR2
SCHEMBL1198506 0.81 PDE7A (0.41) PDE7APDE3APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
US-8071589-B2 Dihydrobenzoindazoles N. V. ORGANON (NL) 2011-12-06 — — US disclosed
WO-2011012674-A1 DIHYDROBENZOINDAZOLES N.V. ORGANON (NL) 2011-02-03 — — WO disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US disclosed
US-20110028451-A1 Dihydrobenzoindazoles N.V. ORGANON (NL) 2011-02-03 — — US 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-20110028451-A1 Dihydrobenzoindazoles DHODH, BRDT, HSD17B11 PDE7A 2158/4885PDE3A 931/4885PDE10A 2445/4885

“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.

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