SCHEMBL3450832

SCHEMBL3450832

O=[C]N1CCNCC1C(=O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
HRH4 Q9H3N8 2/20 0.42
BAZ2A Q9UIF9 1/20 0.38
NLRP3 Q96P20 1/20 0.38
GSK3B P49841 1/20 0.38
RAD52 P43351 2/20 0.38
UBE2N P61088 2/20 0.38
CHRNA7 P36544 2/20 0.37
MAOB P27338 1/20 0.37
SSTR3 P32745 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
MIF P14174 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
KDR P35968 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
SCHEMBL8498213 0.82 HRH3 (0.42) HRH3HRH4BAZ2ANLRP3GSK3B
SCHEMBL3449404 0.81 HRH4 (0.53) HRH3HRH4MAOB
SCHEMBL3449357 0.80 SLC6A4 (0.42)
SCHEMBL3449600 0.78 ALDH1A1 (0.40)
SCHEMBL3448664 0.78 TDP1 (0.43)
SCHEMBL3448677 0.77 HRH3 (0.45) HRH3HRH4BAZ2ACHRNA7MTNR1A
SCHEMBL3449794 0.76 ALDH1A1 (0.45) HRH3
SCHEMBL3450210 0.72 NPC1 (0.40)
SCHEMBL8716281 0.70 HRH4 (0.49) HRH3HRH4NLRP3GSK3BRAD52
SCHEMBL8984761 0.69 HDAC3 (0.47) HRH3HRH4NLRP3GSK3BMTNR1A

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 HRH3 3911/4885HRH4 3070/4885BAZ2A 1877/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 HRH3 3911/4885HRH4 3070/4885BAZ2A 1877/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 HRH3 67/4885HRH4 54/4885BAZ2A 3374/4885

“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.