SCHEMBL4521150

SCHEMBL4521150

CC(C)(C)NCc1cc2c(cc1Cl)[C@@H](O)CCO2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.46
BDKRB1 P46663 10/20 0.37
P2RX7 Q99572 6/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33

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
SCHEMBL5950945 0.85 BDKRB1 (0.35) MAP3K14BDKRB1PTGDR2
SCHEMBL5950949 0.85 BDKRB1 (0.35) MAP3K14BDKRB1PTGDR2
SCHEMBL14272028 0.73
SCHEMBL14307705 0.72 HTR1D (0.36) P2RX7
SCHEMBL12316627 0.70 MAP3K14 (0.57) MAP3K14PTGDR2
SCHEMBL12316538 0.70 MAP3K14 (0.57) MAP3K14
SCHEMBL12316626 0.67 MAP3K14 (0.49) MAP3K14PTGDR2
SCHEMBL12316632 0.67 MAP3K14 (0.49) MAP3K14
SCHEMBL4526156 0.67 SLC8A1 (0.35)
SCHEMBL13092731 0.66 MAP3K14 (0.54) MAP3K14

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
EP-1856074-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS Amgen, Inc (US) 2007-11-21 EP disclosed
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
US-20060111347-A1 Substituted sulfones and methods of use AMGEN INC. (US) 2006-05-25 US disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2006041888-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 2006-04-20 WO disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS MAP3K14 1509/4885BDKRB1 259/4885P2RX7 17/4885
US-20060111347-A1 Substituted sulfones and methods of use SULT2A1, STS, SULT1A1 MAP3K14 1736/4885BDKRB1 419/4885P2RX7 313/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE MAP3K14 1441/4885BDKRB1 533/4885P2RX7 470/4885

“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.