Sugi Predict

Sugi Predict / Compounds / SCHEMBL13213232

SCHEMBL13213232

SCHEMBL13213232

CC(C)(C)N1CCC[C@H](CO)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ EPHX2 P34913 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 5/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ TYMP P19971 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KHK P50053 1/20 0.33
▸ LIPE Q05469 1/20 0.33
▸ GRM3 Q14832 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL624534 1.00 PKM (0.38) PKMCYP2D6CYP3A4CYP2C19EPHX2
SCHEMBL1029299 1.00 PKM (0.38) PKMCYP2D6CYP3A4CYP2C19EPHX2
SCHEMBL1700411 0.88 NR1H2 (0.33) PKMCYP3A4CYP2C19
SCHEMBL1700787 0.88 NR1H2 (0.33) PKMCYP3A4CYP2C19
SCHEMBL624078 0.88 NR1H2 (0.33) PKMCYP3A4CYP2C19
SCHEMBL23916739 0.85 CYP2D6 (0.35) PKMCYP2D6CYP3A4CYP2C19EPHX2
SCHEMBL16019929 0.85 AKR1C3 (0.36) —
SCHEMBL2658021 0.84 CYP3A4 (0.33) PKMCYP2D6CYP3A4CYP2C19EPHX2
SCHEMBL10274325 0.82 CYP1A2 (0.31) —
SCHEMBL20381527 0.82 CYP1A2 (0.31) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932648-B2 CDK2 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-03-19 — — US disclosed
US-20230159535-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2023-05-25 — — US disclosed
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-16 — — US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 — — US disclosed
US-9840460-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 — — US disclosed
US-9840460-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 — — US disclosed
US-20170327459-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-16 — — US disclosed
US-20170327459-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-11-16 — — US disclosed
US-9096496-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-04 — — US disclosed
US-9096496-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-04 — — US disclosed
US-20150166469-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-18 — — US disclosed
US-20150166469-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-18 — — US disclosed
WO-2014207067-A1 THE (S)-ENANTIOMER OF MEPAZINE Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-12-31 — — WO disclosed
US-8901169-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-02 — — US disclosed
US-8901169-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-12-02 — — US disclosed
US-20140256702-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-09-11 — — US disclosed
US-20140256702-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-09-11 — — US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — 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 (9 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-20140256702-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PKM 3303/4885CYP2D6 834/4885CYP3A4 2331/4885
US-11932648-B2 CDK2 inhibitors CDK2, CDK20, CDK2AP1 PKM 2619/4885CYP2D6 2839/4885CYP3A4 3923/4885
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R PKM 719/4885CYP2D6 1784/4885CYP3A4 2304/4885
US-20200115354-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 PKM 2488/4885CYP2D6 590/4885CYP3A4 675/4885
US-20150166469-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PKM 3303/4885CYP2D6 834/4885CYP3A4 2331/4885
US-20180194718-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PKM 3303/4885CYP2D6 834/4885CYP3A4 2331/4885
US-20230159535-A1 CDK2 INHIBITORS CDK2, CDK20, CDK2AP1 PKM 2619/4885CYP2D6 2839/4885CYP3A4 3923/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 PKM 2407/4885CYP2D6 592/4885CYP3A4 720/4885
US-20170327459-A1 NEPRILYSIN INHIBITORS MME, REN, ACE PKM 3303/4885CYP2D6 834/4885CYP3A4 2331/4885

“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.