SCHEMBL6243880

SCHEMBL6243880

Cc1cc(CN2CCN(C(=O)COc3ccc(Cl)cc3CCl)CC2)c(C)cc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HTT P42858 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PTGDR2 Q9Y5Y4 4/20 0.52
▸ TSHR P16473 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CCR1 P32246 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 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
SCHEMBL6464938 0.93 LMNA (0.54) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6248128 0.93 LMNA (0.52) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6400205 0.91 LMNA (0.53) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6246905 0.89 CCR1 (0.51) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6462941 0.88 CCR1 (0.50) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6466922 0.88 CCR1 (0.50) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6248257 0.87 SMN1; SMN2 (0.48) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6465815 0.87 LMNA (0.52) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6250625 0.86 SMN1; SMN2 (0.47) LMNASMN1; SMN2HTTGAAMAPK1
SCHEMBL6248164 0.86 SMN1; SMN2 (0.47) LMNASMN1; SMN2HTTGAAMAPK1

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 10 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 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
US-20050119275-A1 Salt and crystal forms of (5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-methanesulfonic acid PFIZER INC. 2005-06-02 — — US disclosed
WO-2004113311-A1 AMORPHOUS UND CRYSTAL FORMS OF (5-CHLORO-2-{2- PFIZER PRODUCTS INC. (US) 2004-12-29 — — WO 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 (3 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-20050119275-A1 Salt and crystal forms of (5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-phenyl)-methanesulfonic acid CCR1, CCR6, CCR3 LMNA 4222/4885SMN1; SMN2 1948/4885HTT 2925/4885
US-20050250790-A1 Novel sulfonic acid derivatives MSR1, MYD88, CXCR2 LMNA 4202/4885SMN1; SMN2 2160/4885HTT 4461/4885
US-20030083335-A1 Novel sulfonic acid derivatives CCR1, MSR1, CXCR1 LMNA 4386/4885SMN1; SMN2 1975/4885HTT 4529/4885

“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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