SCHEMBL6462941

SCHEMBL6462941

Cc1cc(CN2CCN(C(=O)COc3ccc(Cl)cc3CS(=O)(=O)O)CC2)c(C)cc1F.[CaH2]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ GAA P10253 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PTGDR2 Q9Y5Y4 7/20 0.49
▸ TSHR P16473 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL6246905 0.99 CCR1 (0.51) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6466922 0.98 CCR1 (0.50) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6245957 0.92 SMN1; SMN2 (0.48) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6248257 0.90 SMN1; SMN2 (0.48) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6244886 0.90 SMN1; SMN2 (0.52) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6245599 0.90 KDM4E (0.47) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6464938 0.89 LMNA (0.54) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6248164 0.89 SMN1; SMN2 (0.47) CCR1SMN1; SMN2LMNAGAAHTT
SCHEMBL6247746 0.89 ALDH1A1 (0.48) CCR1SMN1; SMN2LMNAMAPK1HPGD
SCHEMBL6243880 0.88 LMNA (0.53) CCR1SMN1; SMN2LMNAGAAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CCR1 1/4885SMN1; SMN2 1948/4885LMNA 4222/4885

“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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