Sugi Predict

Sugi Predict / Compounds / SCHEMBL1491696

SCHEMBL1491696

SCHEMBL1491696

COC(=O)[C@@H]1Cc2ccccc2CN1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ BLM P54132 1/20 0.46
▸ SMYD3 Q9H7B4 1/20 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
SCHEMBL6866846 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29715383 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL32677077 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL1491698 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL29707282 1.00 KDM4E (0.56) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL30665771 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL10749367 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL8724704 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
Hydrochloric Acid SCHEMBL14059291 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2GAACYP2D6
SCHEMBL27478435 0.85 MEN1 (0.47) KMT2AMEN1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103450338-B The Thymopentin that heterocyclic carboxylic acid is modified, it prepares, antitumor action and application 首都医科大学 2016-08-24 — — CN claimed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 — — CN claimed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 — — CN claimed
CN-103450338-A Heterocyclic carboxylic acid-modified thymopentins and their preparation method, anti-tumor effect and use UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 — — CN claimed
CN-102120727-B N-[(3S)-N-aminoacyl-1,2,3,4-tetrahydroisoquinoline-3-formacyl]amino acid and synthesis method and application thereof UNIV CAPITAL MEDICAL 2013-08-28 — — CN claimed
CN-101200493-B (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL 2011-11-09 — — CN claimed
CN-102234278-A (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives, and synthesis method and application thereof UNIV CAPITAL MEDICAL 2011-11-09 — — CN claimed
CN-102120727-A N-[(3S)-N-aminoacyl-1,2,3,4-tetrahydroisoquinoline-3-formacyl]amino acid and synthesis method and application thereof UNIV CAPITAL MEDICAL 2011-07-13 — — CN claimed
CN-101200493-A (3S)-N-(L-aminoacyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, preparation method and uses thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2008-06-18 — — CN claimed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 — — US disclosed
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 — — US disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 — — WO disclosed
US-20230039858-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION INTOCELL, INC. (KR) 2023-02-09 — — US disclosed
CN-114615976-A Kappa opioid receptor peptide amide agonists 人福医药美国公司 2022-06-10 — — CN disclosed
US-4616031-A Perhydroindole-2-carboxylic acids as antihypertensives ADIR (FR) 1986-10-07 — — US disclosed
US-4565819-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS ADIR (FR) 1986-01-21 — — US disclosed
US-4508729-A Substituted iminodiacids, their preparation and pharmaceutical compositions containing them ADIR (FR) 1985-04-02 — — US disclosed
EP-0018549-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1981-12-30 — — EP disclosed
US-4294832-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1981-10-13 — — US disclosed
EP-0018549-A2 Tetrahydroisoquinoline compounds, process for preparing them and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-11-12 — — 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 (2 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-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 KDM4E 1492/4885ALDH1A1 900/4885CYP1A2 392/4885
US-20230039858-A1 COMPOSITIONS AND METHODS RELATED TO MOLECULAR CONJUGATION FCGR2A, FCGRT, FCGR3B KDM4E 3090/4885ALDH1A1 200/4885CYP1A2 2748/4885

“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.