SCHEMBL3449357

SCHEMBL3449357

O=[C]N1CCNCC1C(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.42
SLC6A2 P23975 9/20 0.42
KCNH2 Q12809 5/20 0.42
SLC6A3 Q01959 9/20 0.42
SIGMAR1 Q99720 4/20 0.40
BCHE P06276 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
HTR6 P50406 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
UTS2R Q9UKP6 1/20 0.38

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 0.85 ALDH1A1 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL8495470 0.81 SLC6A4 (0.42) SLC6A4SLC6A2KCNH2SLC6A3SIGMAR1
SCHEMBL3448664 0.80 TDP1 (0.43) SLC6A4SIGMAR1
SCHEMBL3450832 0.80 HRH3 (0.42)
SCHEMBL3450210 0.76 NPC1 (0.40) SLC6A4SLC6A2SLC6A3SIGMAR1HTR2C
SCHEMBL3449794 0.73 ALDH1A1 (0.45) SLC6A4SLC6A2SIGMAR1BCHE
SCHEMBL14198735 0.72 SLC6A4 (0.56) SLC6A4SLC6A2KCNH2SLC6A3SIGMAR1
SCHEMBL3451086 0.71 SIGMAR1 (0.44) SIGMAR1HTR2CHTR2B
SCHEMBL3449404 0.71 HRH4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL3448897 0.70 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 SLC6A4 560/4885SLC6A2 162/4885KCNH2 695/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 SLC6A4 560/4885SLC6A2 162/4885KCNH2 695/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 SLC6A4 3725/4885SLC6A2 2189/4885KCNH2 819/4885

“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.