SCHEMBL3450013

SCHEMBL3450013

CCOC1CN[C@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
ALOX15 P16050 2/20 0.47
CYP2C19 P33261 2/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
ARG1 P05089 1/20 0.41
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7340980 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL3450012 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL21896074 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL9297990 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL3771173 1.00 CYP2D6 (0.47) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL16287994 0.98 CYP1A2 (0.46) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL17600576 0.98 CYP1A2 (0.46) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
Hydrochloric Acid SCHEMBL16288453 0.98 CYP1A2 (0.46) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL2339279 0.86 CYP2D6 (0.44) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3
SCHEMBL13675316 0.86 CYP2D6 (0.44) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
EP-0552417-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-07 EP disclosed
EP-0618809-A1 BRADYKININ TYPE PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
EP-0618809-A4 BRADYKININ TYPE PEPTIDES. SCIOS NOVA INC (US) 1994-07-28 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
WO-1992018155-A1 BRADYKININ TYPE PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed
US-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed
US-4221912-A Dithio derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-09-09 US disclosed
US-4217458-A Acylmercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-08-12 US disclosed
US-4198515-A Mercaptoacyl derivatives of 4,5-dihydro-1H-pyrrole-2-carboxylic acids and 1,4,5,6-tetrahydropyridine-2-carboxylic acids E. R. SQUIBB & SONS, INC. (US) 1980-04-15 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 (3 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 CYP2D6 3744/4885CYP1A2 3881/4885ALOX15 2250/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 CYP2D6 3744/4885CYP1A2 3881/4885ALOX15 2250/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CYP2D6 695/4885CYP1A2 117/4885ALOX15 2523/4885

“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.