SCHEMBL3450045

SCHEMBL3450045

CC(=O)OC1CN[C@H](C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
CYP1A2 P05177 2/20 0.48
ALOX15 P16050 2/20 0.48
CYP2C19 P33261 2/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
ARG1 P05089 1/20 0.39
LMNA P02545 2/20 0.38
BLM P54132 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5861606 1.00 CYP2D6 (0.48) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL683739 1.00 CYP2D6 (0.48) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL3450044 1.00 CYP2D6 (0.48) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL683685 0.86 CHRM2 (0.36) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7208477 0.83 CHRM2 (0.34) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL7208474 0.83 CHRM2 (0.34) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL16397618 0.82 CYP2D6 (0.43) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL16397424 0.82 CYP2D6 (0.43) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL12896178 0.82 CYP2D6 (0.43) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL16397280 0.82 CYP2D6 (0.43) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030280-B2 Process for producing optically active β-trifluoromethyl-β-hydroxycarbonyl compound CENTRAL GLASS COMPANY, LIMITED (JP) 2006-04-18 US claimed
US-20050119507-A1 Process for producing optically active beta-trifluoromethyl-beta-hydroxycarbonyl compound CENTRAL GLASS COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-5494898-A DIQUATERNARY TRIPEPTIDES OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1996-02-27 US claimed
CN-102250040-A Method for preparing N-(3'-aryl allyl)pyrrole derivatives UNIV EAST CHINA SCIENCE & TECH 2011-11-23 CN disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
US-7030280-B2 Process for producing optically active β-trifluoromethyl-β-hydroxycarbonyl compound CENTRAL GLASS COMPANY, LIMITED (JP) 2006-04-18 US disclosed
US-20050119507-A1 Process for producing optically active beta-trifluoromethyl-beta-hydroxycarbonyl compound CENTRAL GLASS COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 US disclosed
EP-0804465-B1 NOVEL ELASTASE INHIBITORS AVENTIS PHARMA INC (US) 2003-08-06 EP disclosed
US-5494898-A DIQUATERNARY TRIPEPTIDES OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1996-02-27 US disclosed
US-5494898-A DIQUATERNARY TRIPEPTIDES OHMEDA PHARMACEUTICAL PRODUCTS DIVISION INC. (US) 1996-02-27 US disclosed
WO-1995033762-A1 PERFLUOROALKYL KETONE INHIBITORS OF ELASTASE AND PROCESSES FOR MAKING THE SAME MERRELL PHARMACEUTICALS INC. (US) 1995-12-14 WO disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 EP disclosed
EP-0498940-A2 Peptide amides and amide dimers BOC Health Care, Inc. (US) 1992-08-19 EP disclosed
EP-0498941-A2 Peptide skeletal muscle relaxants BOC Health Care, Inc. (US) 1992-08-19 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CYP2D6 695/4885CYP1A2 117/4885ALOX15 2523/4885
US-20050119507-A1 Process for producing optically active beta-trifluoromethyl-beta-hydroxycarbonyl compound CYP8B1, HCCS, DHPS CYP2D6 490/4885CYP1A2 251/4885ALOX15 696/4885

“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.