SCHEMBL6247769

SCHEMBL6247769

Cc1cc(CN2CCN(C(=O)COc3ncc(Cl)cc3CS(=O)(=O)O)CC2)c(C)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ LMNA P02545 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL6246637 0.91 ALDH1A1 (0.36) SMN1; SMN2LMNAALDH1A1KDM4EGAA
SCHEMBL6250082 0.91 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6247199 0.91 NPC1 (0.37) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6244886 0.84 SMN1; SMN2 (0.52) NPC1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL6250545 0.82 LMNA (0.35) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6245950 0.82 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6247968 0.81 LMNA (0.34) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6248779 0.80 LMNA (0.39) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6248748 0.80 MEN1 (0.35) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6245349 0.80 LMNA (0.39) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 — — US claimed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 — — EP claimed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 — — EP claimed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 — — US claimed
WO-2004039377-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO claimed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 — — US claimed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 — — WO claimed
US-6974817-B2 CCR1 receptor antagonists; inhibitors of MIP-1 alpha (CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells; macrophage inflammatory protein (MIP) PFIZER INC. (US) 2005-12-13 — — US disclosed
US-20050250790-A1 Novel sulfonic acid derivatives PFIZER INC 2005-11-10 — — US disclosed
EP-1558258-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS Pfizer Products Inc. (US) 2005-08-03 — — EP disclosed
EP-1430041-A2 NOVEL SULFONIC ACID DERIVATIVES Pfizer Products Inc. (US) 2004-06-23 — — EP disclosed
US-20040116441-A1 Methods of using sulfonic acid derivatives PFIZER INC 2004-06-17 — — US disclosed
WO-2004039377-A1 USE OF PIPERAZINE SULFONIC ACID DERIVATIVES AS CCR1 ANTAGONISTS FOR THE TREATMENT OF FIBROSIS, ALZHEIMER DISEASE AND OTHER DISORDERS PFIZER PRODUCTS INC. (US) 2004-05-13 — — WO disclosed
US-20030083335-A1 Novel sulfonic acid derivatives HAYWARD MATTHEW M (US) 2003-05-01 — — US disclosed
WO-2002102787-A2 NOVEL SULFONIC ACID DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-12-27 — — 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-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 NPC1 2924/4885RAB9A 1453/4885SMN1; SMN2 2160/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 NPC1 2036/4885RAB9A 1246/4885SMN1; SMN2 1975/4885

“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.

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