Sugi Predict

Sugi Predict / Compounds / SCHEMBL12545656

SCHEMBL12545656

SCHEMBL12545656

CC(C)c1cccc(N2CCCC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ BRD4 O60885 1/20 0.49
▸ BRDT Q58F21 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL10224198 0.95 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL22797019 0.90 DRD2 (0.49) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL28406304 0.88 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL29793670 0.88 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL24720996 0.84 CYP1A2 (0.50) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL18713907 0.84 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL10224255 0.81 DRD2 (0.47) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL24045715 0.80 F10 (0.47) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4
SCHEMBL11994519 0.80 ALDH1A1 (0.57) ALDH1A1CYP2C9CYP1A2CYP2D6HPGD
SCHEMBL28003000 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP1A2CYP2D6CYP3A4

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 — — US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 — — US disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 — — US disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 — — US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 — — US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 — — US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 — — US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 — — 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 (8 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885CYP2C9 888/4885CYP1A2 1154/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV ALDH1A1 858/4885CYP2C9 3750/4885CYP1A2 4297/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885CYP2C9 832/4885CYP1A2 1864/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885CYP2C9 888/4885CYP1A2 1154/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV ALDH1A1 1153/4885CYP2C9 1114/4885CYP1A2 1501/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 ALDH1A1 986/4885CYP2C9 888/4885CYP1A2 1154/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 ALDH1A1 3877/4885CYP2C9 1200/4885CYP1A2 1458/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885CYP2C9 832/4885CYP1A2 1864/4885

“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.