Sugi Predict

Sugi Predict / Compounds / SCHEMBL355042

SCHEMBL355042

SCHEMBL355042

COc1ccc2c(c1)CC(NCc1ccccc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.67
▸ DRD3 P35462 3/20 0.67
▸ GRIN2B Q13224 6/20 0.66
▸ GRIN1 Q05586 1/20 0.63
▸ KMT2A Q03164 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ MTNR1A P48039 1/20 0.56
▸ MTNR1B P49286 1/20 0.56
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ ACHE P22303 2/20 0.54
▸ HTR1A P08908 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ FYN P06241 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MEN1 O00255 1/20 0.51

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
SCHEMBL9516292 1.00 DRD2 (0.67) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL9515249 1.00 DRD2 (0.67) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL8767433 0.99 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL9304463 0.99 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL9305508 0.99 DRD2 (0.65) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL12524812 0.95 GRIN2B (0.66) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL8765599 0.93 DRD2 (0.57) DRD2DRD3GRIN2BGRIN1KMT2A
SCHEMBL5143730 0.93 DRD2 (0.57) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL8765371 0.91 DRD2 (0.56) DRD2DRD3GRIN2BGRIN1KMT2A
Hydrochloric Acid SCHEMBL8765358 0.91 DRD2 (0.56) DRD2DRD3GRIN2BGRIN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 — — US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 — — US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 — — WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 — — US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 — — US disclosed
US-5312961-A 2-amino-7-hydroxytetralin carboxylalkyl ethers ELF SANOFI (FR) 1994-05-17 — — US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 — — EP disclosed
US-5202466-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1993-04-13 — — US disclosed
US-5159103-A 2-amino-7-hydroxytetraline ethers SANOFI (FR) 1992-10-27 — — US disclosed
EP-0303545-B1 PROCESS FOR THE PREPARATION OF PHENYLETHANOLAMINOTETRALINES ELF SANOFI (FR) 1992-06-17 — — EP disclosed
EP-0383686-A1 2-Amino-7-hydroxytetraline carboxyalkyl ethers ELF SANOFI (FR) 1990-08-22 — — EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 — — EP disclosed
EP-0347313-A2 2-Amino-7-hydroxytetraline ethers ELF SANOFI (FR) 1989-12-20 — — EP disclosed
EP-0303545-A2 Process for the preparation of phenylethanolaminotetralines ELF SANOFI (FR) 1989-02-15 — — EP disclosed
EP-0055043-B1 6,7,8,9-TETRAHYDRO-3H-BENZ(E)INDOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND INTERMEDIATES USED THEREIN, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE INDOLAMINE DERIVATIVES AYERST, MCKENNA AND HARRISON INC. (CA) 1985-01-23 — — EP disclosed
EP-0055043-A2 6,7,8,9-Tetrahydro-3H-benz(e)indolamine derivatives, processes for their preparation and intermediates used therein, and pharmaceutical compositions containing the indolamine derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1982-06-30 — — 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 (5 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-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 DRD2 1302/4885DRD3 1669/4885GRIN2B 1767/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 DRD2 1302/4885DRD3 1669/4885GRIN2B 1767/4885
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 DRD2 2063/4885DRD3 2383/4885GRIN2B 34/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 DRD2 1302/4885DRD3 1669/4885GRIN2B 1767/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 DRD2 1964/4885DRD3 2036/4885GRIN2B 107/4885

“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.