Sugi Predict

Sugi Predict / Compounds / SCHEMBL5055403

SCHEMBL5055403

SCHEMBL5055403

Cc1ccc(C(=O)O)c([N+](=O)[O-])c1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ SMN1; SMN2 Q16637 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ LMNA P02545 4/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HIF1A Q16665 1/20 0.46

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
SCHEMBL7222109 0.84 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5059169 0.83 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5060211 0.83 LMNA (0.53) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5066126 0.82 KDM4E (0.67) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5520422 0.81 POLB (0.55) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5059991 0.80 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5055558 0.80 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5055725 0.80 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5059595 0.80 KDM4E (0.72) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4
SCHEMBL5066274 0.79 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1LMNACYP3A4

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 15 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
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
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

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 KDM4E 1780/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KDM4E 1780/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KDM4E 1780/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20030158205-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES KDM4E 1780/4885SMN1; SMN2 4729/4885ALDH1A1 465/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 KDM4E 1071/4885SMN1; SMN2 4648/4885ALDH1A1 306/4885

“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.