SCHEMBL3448403

SCHEMBL3448403

O=[C]N1CCNCC1C(=O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.37
TSHR P16473 2/20 0.37
SLC6A11 P48066 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A13 Q9NSD5 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRNB2 P17787 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CHRNB4 P30926 2/20 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
SCHEMBL3448296 0.98 SLC6A1 (0.36) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3449345 0.76 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL4073459 0.75 CA2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8495169 0.74 SLC6A1 (0.37) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL8710374 0.73 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8498372 0.73 SLC6A1 (0.36) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL3448897 0.72 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7341420 0.72 HTR2A (0.30)
SCHEMBL2677615 0.71 SLC6A1 (0.44) SLC6A1TSHRSLC6A11LMNASMN1; SMN2
SCHEMBL2676702 0.70 TSHR (0.43) SLC6A1TSHRSLC6A11LMNASMN1; SMN2

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 8 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

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 SLC6A1 125/4885TSHR 2159/4885SLC6A11 350/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC6A1 125/4885TSHR 2159/4885SLC6A11 350/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SLC6A1 3939/4885TSHR 1298/4885SLC6A11 3945/4885

“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.