SCHEMBL5065800

SCHEMBL5065800

O=C(CNc1ccc(Cl)cc1)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.80
CA1 P00915 3/20 0.80
CA2 P00918 3/20 0.80
CA9 Q16790 3/20 0.80
POLB P06746 1/20 0.60
FAAH O00519 3/20 0.58
AKR1C3 P42330 1/20 0.55
CACNA1G O43497 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
GPR183 P32249 1/20 0.52
LSS P48449 1/20 0.52
ATM Q13315 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NLRP3 Q96P20 1/20 0.51
DRD4 P21917 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL10502128 0.85 POLB (0.70) CA12CA1CA2CA9POLB
Hydrochloric Acid SCHEMBL10502730 0.82 POLB (0.67) CA12CA1CA2CA9POLB
SCHEMBL3923607 0.81 CA12 (0.60) CA12CA1CA2CA9FAAH
SCHEMBL7369921 0.80 ALDH1A1 (0.73) POLBFAAHAKR1C3CACNA1GGPR183
SCHEMBL10502122 0.79 POLB (0.63) CA12CA1CA2CA9POLB
SCHEMBL3918942 0.79 CA12 (0.57) CA12CA1CA2CA9FAAH
Hydrochloric Acid SCHEMBL10503178 0.78 POLB (0.62) CA12CA1CA2CA9POLB
SCHEMBL15868592 0.78 PKM (0.58) CA12CA1CA2CA9POLB
SCHEMBL10689422 0.78 HTR7 (0.74) POLBFAAHAKR1C3CACNA1GGPR183
SCHEMBL2931705 0.77 AKR1C3 (0.65) POLBFAAHAKR1C3GPR183LSS

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 19 patents. 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 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-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
WO-2005079769-A2 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF ENDOMETRIOSIS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 WO disclosed
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-21 US disclosed
US-20030139425-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed
US-6573266-B1 Compounds used for treating multitiple sclerosis and encephalomyelitis SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-6555537-B2 Inhibit activity of chemokines, macrophage inflammatory protein-1 (MIP-1 alpha) and RANTES; 1-((4-chlorophenoxy)methyl)-carbonyl-2-methyl-4-(4-fluorobenzyl)piperazine for example SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-6541476-B1 Treating multiple sclerosis or encephalomyelitis in a human SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-6534509-B1 Derivatives are useful as anti-inflammatory agents. This invention is also directed to pharmacetutical compostions for inflammation SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-18 US disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 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 CA12 4297/4885CA1 4558/4885CA2 2886/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CA12 4297/4885CA1 4558/4885CA2 2886/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CA12 4297/4885CA1 4558/4885CA2 2886/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CA12 4297/4885CA1 4558/4885CA2 2886/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CA12 3712/4885CA1 3517/4885CA2 3996/4885

“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.