SCHEMBL3450210

SCHEMBL3450210

O=[C]N1CCNCC1C(=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
KEAP1 Q14145 1/20 0.38
FKBP1A P62942 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PARP1 P09874 1/20 0.36
HTR2C P28335 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL3449600 0.87 ALDH1A1 (0.40) POLBSLC6A4SLC6A2SLC6A3PARP1
SCHEMBL3451086 0.80 SIGMAR1 (0.44) SIGMAR1HTR2CALDH1A1
SCHEMBL8498862 0.80 NPC1 (0.40) NPC1TDP1POLBKEAP1FKBP1A
SCHEMBL4630051 0.79 HTR2C (0.45) NPC1FKBP1AHTR2CSMN1; SMN2
SCHEMBL4630218 0.76 GNAI3 (0.31) SIGMAR1
SCHEMBL3450997 0.76 SLC6A2 (0.47) SIGMAR1SLC6A4SLC6A2SLC6A3
SCHEMBL3449357 0.76 SLC6A4 (0.42) SIGMAR1SLC6A4SLC6A2SLC6A3HTR2C
SCHEMBL3448664 0.74 TDP1 (0.43) TDP1SIGMAR1SLC6A4
SCHEMBL3450373 0.74 OPRD1 (0.38) SIGMAR1HTR2C
SCHEMBL3448897 0.73 CHRNB2 (0.33)

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 NPC1 4562/4885TDP1 1826/4885POLB 2536/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 NPC1 4562/4885TDP1 1826/4885POLB 2536/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 NPC1 3304/4885TDP1 4114/4885POLB 1986/4885

“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.