SCHEMBL5972097

SCHEMBL5972097

CC1NC(=O)C(C)N(Cc2ccc(F)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.39
GRM2 Q14416 1/20 0.39
RGS4 P49798 2/20 0.38
RGS8 P57771 2/20 0.38
HCRTR2 O43614 3/20 0.38
HCRTR1 O43613 1/20 0.38
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5064255 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5061447 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5134174 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5064737 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL102314 0.84 EHMT2 (0.49) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4187223 0.84 EHMT2 (0.49) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL4597179 0.84 EHMT2 (0.49) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5066408 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL8104393 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL8104388 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1POLBGAA

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
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
US-20040058932-A1 Novel piperazine derivatives PFIZER INC. 2004-03-25 US disclosed
US-6649611-B2 Potent and selective inhibitors of chemokine binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes). PFIZER, INC. 2003-11-18 US disclosed
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2001072728-A9 NOVEL PIPERAZINE DERIVATIVES PFIZER PROD INC (US) 2002-10-10 WO disclosed
US-20020107255-A1 Novel piperazine derivatives PFIZER PRODUCTS INC. 2002-08-08 US disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 WO 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 (2 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-20040058932-A1 Novel piperazine derivatives IL5, IL17A, CCR2 ALDH1A1 401/4885KMT2A 2957/4885MEN1 4741/4885
US-20020107255-A1 Novel piperazine derivatives IL5, IL17A, CCR2 ALDH1A1 401/4885KMT2A 2957/4885MEN1 4741/4885

“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.