SCHEMBL545767

SCHEMBL545767

COC(=O)C1CCc2ccc(OC)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.63
MTNR1B P49286 4/20 0.63
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
ACHE P22303 4/20 0.59
DRD2 P14416 5/20 0.57
DRD3 P35462 5/20 0.57
DRD4 P21917 2/20 0.49
PKM P14618 1/20 0.49
CYP19A1 P11511 1/20 0.47
FAAH O00519 2/20 0.46
NQO2 P16083 3/20 0.45

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
SCHEMBL8606735 1.00 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8074296 1.00 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8076218 0.94 CA1 (0.59) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8603697 0.94 CA1 (0.59) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8066286 0.94 CA1 (0.59) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL388601 0.88 MTNR1A (0.54) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL345882 0.87 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8603880 0.87 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL345881 0.87 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10197905 0.86 MTNR1A (0.48) MTNR1AMTNR1BCA1CA2ACHE

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 21 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
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO 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
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US 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
EP-0683236-B1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI SYNTHELABO (FR) 2000-08-09 EP disclosed
US-5719308-A Enzymatic process for the preparation of optically active tetralin derivatives SANOFI (FR) 1998-02-17 US disclosed
US-5573949-A Enzymatic process for the preparation of optically active Tetrahydro-2-naphthoic acids SANOFI (FR) 1996-11-12 US disclosed
EP-0683236-A1 Enzymatic process for the preparation of optical active tetralin-derivatives SANOFI (FR) 1995-11-22 EP disclosed
EP-0678579-A1 Enzymatic process for the preparation of optical active tetralin-derivatives MIDY S.p.A. (IT) 1995-10-25 EP 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 (3 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MTNR1A 1579/4885MTNR1B 1240/4885CA1 400/4885
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 MTNR1A 1179/4885MTNR1B 1895/4885CA1 3060/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 MTNR1A 4246/4885MTNR1B 3824/4885CA1 4184/4885

“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.