Sugi Predict

Sugi Predict / Compounds / SCHEMBL444953

SCHEMBL444953

SCHEMBL444953

O=C(O)[C@@H]1CCc2ccccc2N1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.69
▸ MAPT P10636 1/20 0.69
▸ SMYD3 Q9H7B4 1/20 0.57
▸ MTNR1A P48039 2/20 0.48
▸ HTR1A P08908 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ MME P08473 6/20 0.44
▸ ACE P12821 2/20 0.43
▸ MASP2 O00187 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29831598 1.00 GAA (0.69) GAAMAPTSMYD3MTNR1AHTR1A
SCHEMBL1531662 1.00 GAA (0.69) GAAMAPTSMYD3MTNR1AHTR1A
SCHEMBL1150614 1.00 GAA (0.69) GAAMAPTSMYD3MTNR1AHTR1A
Hydrochloric Acid SCHEMBL3157936 0.98 GAA (0.67) GAAMAPTSMYD3MTNR1AHTR1A
SCHEMBL28114455 0.98 GAA (0.67) GAAMAPTSMYD3MTNR1AHTR1A
Hydrochloric Acid SCHEMBL11047643 0.98 GAA (0.67) GAAMAPTSMYD3MTNR1AHTR1A
Hydrochloric Acid SCHEMBL11050093 0.98 GAA (0.67) GAAMAPTSMYD3MTNR1AHTR1A
SCHEMBL9868433 0.94 GAA (0.81) GAAMAPTSMYD3MTNR1AHTR1A
SCHEMBL17675115 0.90 MAPT (0.65) GAAMAPTSMYD3MTNR1AHTR1A
SCHEMBL4019694 0.87 SMYD3 (0.58) GAAMAPTSMYD3MTNR1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 — — EP claimed
EP-2616808-A2 PROLYL ENDOPEPTIDASE PROBES SRI International (US) 2013-07-24 — — EP claimed
WO-2012037044-A2 PROLYL ENDOPEPTIDASE PROBES SRI INTERNATIONAL (US) 2012-03-22 — — WO claimed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 — — US claimed
US-4401818-A HYPOTENSIVE AGENTS, CARDIOACTIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-08-30 — — US claimed
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2025-05-22 — — US disclosed
EP-4423078-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2024-09-04 — — EP disclosed
CN-118139858-A Pyrazin-3 (2H) -one derivatives 吉利德科学公司 2024-06-04 — — CN disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US disclosed
WO-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 — — WO disclosed
EP-2616808-A2 PROLYL ENDOPEPTIDASE PROBES SRI International (US) 2013-07-24 — — EP disclosed
US-20120157442-A1 HETEROARYL BTK INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 — — US disclosed
WO-2012037044-A2 PROLYL ENDOPEPTIDASE PROBES SRI INTERNATIONAL (US) 2012-03-22 — — WO disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 — — US disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 — — US disclosed
WO-2005037803-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-04-28 — — WO disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 — — WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 — — 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 (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-20120157442-A1 HETEROARYL BTK INHIBITORS BTK, LYN, SYK GAA 2813/4885MAPT 4234/4885SMYD3 1934/4885
US-20120065103-A1 Prolyl Endopeptidase Probes PREP, XPNPEP1, ANPEP GAA 489/4885MAPT 3992/4885SMYD3 2122/4885
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 GAA 3136/4885MAPT 1675/4885SMYD3 4006/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 GAA 3136/4885MAPT 1675/4885SMYD3 4006/4885
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 GAA 637/4885MAPT 2386/4885SMYD3 2731/4885

“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.