Sugi Predict

Sugi Predict / Compounds / SCHEMBL345292

SCHEMBL345292

SCHEMBL345292

O=C(O)C1CCc2ccc(O)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 10/20 0.57
▸ DRD2 P14416 9/20 0.57
▸ DRD4 P21917 6/20 0.53
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ ACHE P22303 3/20 0.51
▸ OPRK1 P41145 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43

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
SCHEMBL345291 1.00 DRD3 (0.57) DRD3DRD2DRD4CA1CA2
SCHEMBL16252317 0.93 OPRK1 (0.57) DRD3DRD2DRD4CA1CA2
SCHEMBL346833 0.93 OPRK1 (0.57) DRD3DRD2DRD4CA1CA2
SCHEMBL9370418 0.85 DRD2 (0.46) DRD3DRD2DRD4CA1CA2
SCHEMBL29958290 0.85 NOTUM (0.43) DRD3DRD2MAPTCYP4F2CYP4A11
SCHEMBL27033717 0.85 NOTUM (0.43) DRD3DRD2MAPTCYP4F2CYP4A11
SCHEMBL24440190 0.81 HDAC8 (0.42) CYP4F2CYP4A11
SCHEMBL31262473 0.81 HDAC8 (0.42) CYP4F2CYP4A11
SCHEMBL8370381 0.81 ALDH1A1 (0.56) MEN1KMT2AMAPTCYP4F2CYP4A11
SCHEMBL25554146 0.81 CYP1A2 (0.41) DRD3DRD2DRD4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 — — US disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 — — US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 — — EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO disclosed
EP-0292977-B1 ALKOXY-SUBSTITUTED DIHYDROBENZOPYRAN-2-CARBOXYLATE DERIVATIVES G.D. Searle & Co. (US) 1991-09-04 — — EP disclosed
US-4889871-A ANTIINFLAMMATORY AGENTS; SELECTIVE LEUKOTRIENE ANTAGONISTS G. D. SEARLE & CO. (US) 1989-12-26 — — US disclosed
EP-0300404-A2 Di-and tetrahydronapthyl anti-allergy agents G.D. Searle & Co. (US) 1989-01-25 — — EP disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 — — 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 (4 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 DRD3 4654/4885DRD2 4664/4885DRD4 4756/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 DRD3 1694/4885DRD2 1767/4885DRD4 2114/4885
US-20140031339-A1 INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTB4R2 DRD3 4402/4885DRD2 4457/4885DRD4 4099/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 DRD3 4734/4885DRD2 4768/4885DRD4 4744/4885

“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.