SCHEMBL3448677

SCHEMBL3448677

O=[C]N1CCNCC1CCc1cc2ccccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
CHRNA7 P36544 2/20 0.44
HRH4 Q9H3N8 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
BCHE P06276 1/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2D6 P10635 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
KDR P35968 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8496222 0.80 HRH3 (0.43) HRH3CHRNA7HRH4MTNR1AMTNR1B
SCHEMBL3450997 0.77 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3450832 0.77 HRH3 (0.42) HRH3CHRNA7HRH4MTNR1AMTNR1B
SCHEMBL3447596 0.74 SLC6A4 (0.52) BCHESLC6A4CYP2D6KMT2A
SCHEMBL3449404 0.71 HRH4 (0.53) HRH3HRH4SLC6A2SLC6A4SLC6A3
SCHEMBL8332622 0.70 HRH3 (0.65) HRH3CHRNA7HRH4MTNR1AMTNR1B
SCHEMBL8712940 0.69 HRH3 (0.47) HRH3CHRNA7HRH4MTNR1AMTNR1B
SCHEMBL10954705 0.69 MAOB (0.53) HRH3CHRNA7HRH4MTNR1AMTNR1B
SCHEMBL3447412 0.69 SLC6A4 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL3990045 0.69 HRH3 (0.63) HRH3CHRNA7HRH4LOXL2SLC6A4

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 7 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-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 3911/4885CHRNA7 3404/4885HRH4 3070/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 HRH3 3911/4885CHRNA7 3404/4885HRH4 3070/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 HRH3 67/4885CHRNA7 4190/4885HRH4 54/4885

“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.