Sugi Predict

Sugi Predict / Compounds / SCHEMBL8384245

SCHEMBL8384245

SCHEMBL8384245

CC(=O)NC[C@@H](C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.60
▸ MTNR1B P49286 5/20 0.60
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ TAAR1 Q96RJ0 2/20 0.55
▸ AOC3 Q16853 1/20 0.55
▸ ACACB O00763 1/20 0.51
▸ TP53 P04637 2/20 0.49
▸ APAF1 O14727 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ BCL2 P10415 2/20 0.46
▸ BCL2L1 Q07817 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ BCL2A1 Q16548 2/20 0.46
▸ BAK1 Q16611 1/20 0.46

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
SCHEMBL2091303 1.00 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9ATAAR1
SCHEMBL8384291 1.00 MTNR1A (0.60) MTNR1AMTNR1BNPC1RAB9ATAAR1
SCHEMBL28904956 0.95 MTNR1A (0.55) MTNR1AMTNR1BNPC1RAB9ATAAR1
SCHEMBL4530460 0.86 NPC1 (0.61) NPC1RAB9ATAAR1AOC3TP53
Hydrochloric Acid SCHEMBL4323386 0.85 TAAR1 (0.60) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL2091812 0.84 MTNR1A (0.67) MTNR1AMTNR1BNPC1RAB9AAPAF1
SCHEMBL7909475 0.83 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL12862954 0.83 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL2432247 0.83 BCAT2 (0.66) NPC1RAB9ATAAR1AOC3TP53
SCHEMBL8499532 0.83 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942499-B Quinazoline derivative and preparation method and application thereof 湖南中医药大学 2022-03-22 — — CN disclosed
CN-109942499-A Quinazoline derivant and its preparation method and application 湖南中医药大学 2019-06-28 — — CN disclosed
CN-105859783-A Novel chiral phosphine ligand, metal catalyst containing chiral phosphine ligand and preparation method and application thereof 宁波赜军医药科技有限公司 2016-08-17 — — CN disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 — — EP disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 — — US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 — — US disclosed
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS ALLEN JENNIFER R (US) 2013-03-28 — — US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 — — US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 — — US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 — — US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 — — WO disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 — — US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 — — US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 — — US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 — — US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 — — US disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 — — EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 — — EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 — — 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 (7 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 MTNR1A 43/4885MTNR1B 14/4885NPC1 3215/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A MTNR1A 3641/4885MTNR1B 3418/4885NPC1 3372/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R MTNR1A 461/4885MTNR1B 543/4885NPC1 4500/4885
US-20130079325-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A MTNR1A 3611/4885MTNR1B 3212/4885NPC1 3738/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A MTNR1A 3611/4885MTNR1B 3212/4885NPC1 3738/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 MTNR1A 51/4885MTNR1B 37/4885NPC1 2141/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D MTNR1A 764/4885MTNR1B 778/4885NPC1 4493/4885

“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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