Sugi Predict

Sugi Predict / Compounds / SCHEMBL410054

SCHEMBL410054

SCHEMBL410054

CC(C)(C)OC(=O)C1CN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.44
▸ HPGD P15428 1/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL4493181 0.85 HRH3 (0.54) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL750380 0.85 HRH3 (0.54) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL4499465 0.85 HRH3 (0.54) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL29152507 0.84 NR1H2 (0.53) HRH3HPGDNR1H2MEN1ALDH1A1
SCHEMBL27698678 0.83 ALDH1A1 (0.50) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL1842901 0.83 ALDH1A1 (0.50) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL310852 0.81 HRH3 (0.60) HRH3HPGDMEN1ALDH1A1KMT2A
SCHEMBL3326606 0.81 HRH3 (0.42) HRH3HPGDNR1H2MEN1ALDH1A1
SCHEMBL18220606 0.79 HRH3 (0.42) HRH3HPGDNR1H2MEN1ALDH1A1
SCHEMBL19656253 0.79 HRH3 (0.42) HRH3HPGDNR1H2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332496-B2 Stapled and stitched polypeptides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-05-17 — — US disclosed
EP-3789378-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND HETEROARYL Grünenthal GmbH (DE) 2021-03-10 — — EP disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 — — EP disclosed
WO-2019118612-A1 TARGETING COMPOUNDS ZAFGEN, INC. (US) 2019-06-20 — — WO disclosed
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 — — US disclosed
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 — — US disclosed
EP-3334728-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen, Inc. (US) 2018-06-20 — — EP disclosed
US-9981909-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 — — US disclosed
EP-1699761-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2006-09-13 — — EP disclosed
US-20060194837-A1 Tetrahydroisoquinoline compounds JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-31 — — US disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 — — US disclosed
WO-2006066197-A1 TETRAHYDROISOQUINOLINE COMPOUNDS FOR TREATMENT OF CNS DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-22 — — WO disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 — — US disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 — — WO disclosed
WO-2005066126-A1 CB1 MODULATOR COMPOUNDS ELI LILLY AND COMPANY (US) 2005-07-21 — — WO disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 — — WO disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 — — EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 — — WO 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 (6 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-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 HRH3 1370/4885HPGD 278/4885NR1H2 3966/4885
US-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 HRH3 1618/4885HPGD 4369/4885NR1H2 2594/4885
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 HRH3 1370/4885HPGD 278/4885NR1H2 3966/4885
US-20060194837-A1 Tetrahydroisoquinoline compounds HRH3, HRH4, HRH1 HRH3 1/4885HPGD 581/4885NR1H2 153/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 HRH3 1370/4885HPGD 278/4885NR1H2 3966/4885
US-11332496-B2 Stapled and stitched polypeptides and uses thereof VIP, NGLY1, IAPP HRH3 1383/4885HPGD 4248/4885NR1H2 4046/4885

“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.