SCHEMBL4588129

SCHEMBL4588129

COCCC1CN(C(=O)COc2ccc(Cl)cc2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.54
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GPR183 P32249 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 3/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44

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
SCHEMBL4589102 0.90 CCR1 (0.56) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL4586414 0.90 CCR1 (0.55) CCR1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5056621 0.90 CCR1 (0.51) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL5066247 0.89 CCR1 (0.54) CCR1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL5055569 0.89 CCR1 (0.54) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL5061445 0.89 CCR1 (0.54) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL4587065 0.88 CCR1 (0.57) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL5060583 0.88 CCR1 (0.53) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL4587120 0.87 CCR1 (0.54) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1
SCHEMBL4589683 0.87 CCR1 (0.56) CCR1ALDH1A1TSHRSMN1; SMN2L3MBTL1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US claimed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US claimed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP claimed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO claimed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US claimed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US claimed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP claimed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US claimed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US claimed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP claimed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 WO claimed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1727526-A2 PIPERAZINE UREA DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS Schering Aktiengesellschaft (DE) 2006-12-06 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
EP-0988292-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-29 EP disclosed
WO-1998056771-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-17 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 (5 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-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CCR1 364/4885ALDH1A1 465/4885TSHR 4777/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 CCR1 14/4885ALDH1A1 1361/4885TSHR 1639/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CCR1 364/4885ALDH1A1 465/4885TSHR 4777/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CCR1 364/4885ALDH1A1 465/4885TSHR 4777/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CCR1 4304/4885ALDH1A1 306/4885TSHR 3534/4885

“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.