SCHEMBL3450997

SCHEMBL3450997

O=[C]N1CCNCC1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A3 Q01959 4/20 0.47
CYP2D6 P10635 1/20 0.46
SIGMAR1 Q99720 1/20 0.41
SLC18A2 Q05940 1/20 0.41
MITF O75030 1/20 0.39

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
SCHEMBL3447412 0.85 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6MITF
SCHEMBL4143965 0.78 SLC18A2 (0.55) SLC18A2
SCHEMBL15062243 0.78 SLC18A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1
SCHEMBL3448677 0.77 HRH3 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3447596 0.77 SLC6A4 (0.52) SLC6A4CYP2D6
SCHEMBL1190776 0.77 CA1 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27262951 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6SIGMAR1
SCHEMBL1191156 0.77 CA1 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3450210 0.76 NPC1 (0.40) SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL2415899 0.73 CYP2D6 (0.36) SLC6A2SLC6A4SLC6A3CYP2D6

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 9 patents. 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
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 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 SLC6A2 162/4885SLC6A4 560/4885SLC6A3 437/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC6A2 162/4885SLC6A4 560/4885SLC6A3 437/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SLC6A2 2189/4885SLC6A4 3725/4885SLC6A3 3839/4885

“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.