SCHEMBL4060432

SCHEMBL4060432

NC(=O)NC(=O)[C@H](CC1CCC(F)(F)CC1)C[C@@H](O)[CH]Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.38
METAP2 P50579 3/20 0.33
METAP1 P53582 2/20 0.33
C3AR1 Q16581 1/20 0.33
CTSD P07339 3/20 0.33
MMP1 P03956 3/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
FCER2 P06734 1/20 0.31

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
SCHEMBL3837103 0.78 CCR1 (0.51) CCR1C3AR1MMP1SMN1; SMN2FCER2
SCHEMBL4069086 0.78 CTSD (0.42) METAP2METAP1CTSDMMP1MMP2
SCHEMBL4068412 0.72 CCR1 (0.34) CCR1ALDH1A1
SCHEMBL4060434 0.71 MMP1 (0.41) CCR1MMP1MMP2MMP3
SCHEMBL4068414 0.70 CCR1 (0.46) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2675825 0.69 CCR1 (0.38) CCR1MMP1MMP2MMP3
SCHEMBL2675864 0.69 CCR1 (0.38) CCR1MMP1MMP2MMP3
SCHEMBL2676480 0.69 CCR1 (0.38) CCR1ALDH1A1
SCHEMBL4065184 0.69 ALDH1A1 (0.42) METAP2METAP1CTSDMMP1MMP2
SCHEMBL4072920 0.69 CCR1 (0.43) CCR1C3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966443-B1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER (US) 2009-01-28 EP disclosed
US-20020198207-A1 Novel Hexanoic acid derivatives KATH JOHN CHARLES (US) 2002-12-26 US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 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 (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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885METAP2 3568/4885METAP1 2724/4885

“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.