SCHEMBL3449404

SCHEMBL3449404

O=[C]N1CCNCC1C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MAOB P27338 1/20 0.44
FLT3 P36888 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1C3 P42330 7/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL8496203 0.81 HRH4 (0.53) HRH4HRH3MAOBFLT3KDM4E
SCHEMBL3450832 0.81 HRH3 (0.42) HRH4HRH3MAOB
SCHEMBL3451086 0.77 SIGMAR1 (0.44) HSD17B10ALDH1A1
SCHEMBL7615979 0.74 HTR3E (0.53) KDM4EMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL3449357 0.71 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL3448677 0.71 HRH3 (0.45) HRH4HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL2204294 0.70 FLT3 (0.49) HRH4HRH3MAOBFLT3KDM4E
SCHEMBL2679610 0.70 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29699763 0.70 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL3447883 0.69 KMT2A (0.46) ALDH1A1

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 HRH4 3070/4885HRH3 3911/4885MAOB 2369/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 HRH4 3070/4885HRH3 3911/4885MAOB 2369/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 HRH4 54/4885HRH3 67/4885MAOB 365/4885

“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.