SCHEMBL3449358

SCHEMBL3449358

O=[C]N1CCNCC1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.35
RAD52 P43351 1/20 0.31

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
SCHEMBL4630615 1.00 HTR2C (0.36) HTR2CHTR6RAD52
SCHEMBL3450910 0.98 HTR2C (0.37) HTR2CHTR6
SCHEMBL1241644 0.83 RIPK1 (0.31)
SCHEMBL508981 0.72 HTR2C (0.39) HTR2CHTR6RAD52
SCHEMBL19673865 0.72 HTR2C (0.39) HTR2CHTR6RAD52
SCHEMBL3594154 0.70
SCHEMBL10325516 0.70 HTR6 (0.46) HTR2CHTR6
SCHEMBL28752486 0.70 HTR6 (0.38) HTR2CHTR6
SCHEMBL3448296 0.70 SLC6A1 (0.36) HTR6
SCHEMBL2383924 0.69 KDM4E (0.37) HTR2CHTR6

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 11 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
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 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-1099690-A1 MONOCYCLIC $g(b)-LACTAM COMPOUNDS AND CHYMASE INHIBITORS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2001-05-16 EP 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 (4 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 HTR2C 3419/4885HTR6 1305/4885RAD52 4773/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 HTR2C 3419/4885HTR6 1305/4885RAD52 4773/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 HTR2C 2049/4885HTR6 4311/4885RAD52 1105/4885
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 HTR2C 1983/4885HTR6 405/4885RAD52 3287/4885

“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.