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SCHEMBL4061000

SCHEMBL4061000

CC1(C)CCC(O)([C@H](C[C@H](O)[C@@H](N)Cc2ccccc2)C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 3/20 0.48
▸ CSNK1E P49674 1/20 0.41
▸ SLC15A1 P46059 1/20 0.39
▸ ANPEP P15144 4/20 0.38
▸ LAP3 P28838 3/20 0.38
▸ EPHX1 P07099 2/20 0.38
▸ RNPEP Q9H4A4 1/20 0.38
▸ DNPEP Q9ULA0 1/20 0.38
▸ REN P00797 2/20 0.37
▸ ALPI P09923 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ XIAP P98170 1/20 0.37
▸ SLC7A5 Q01650 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ LTA4H P09960 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
SCHEMBL4063723 0.89 CCR1 (0.54) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL7581428 0.88 CCR1 (0.57) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL4069510 0.88 CCR1 (0.57) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL4065574 0.88 CCR1 (0.56) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL6836076 0.88 CCR1 (0.56) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL7581508 0.88 CCR1 (0.56) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL4059666 0.88 CCR1 (0.56) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL7581844 0.86 CCR1 (0.43) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL4065716 0.86 CCR1 (0.43) CCR1CSNK1ESLC15A1ANPEPLAP3
SCHEMBL4071838 0.85 CCR1 (0.45) CCR1CSNK1ESLC15A1ANPEPLAP3

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 5 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
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 — — EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 — — 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-20020198207-A1 Novel Hexanoic acid derivatives HCAR3, HCAR1, FFAR1 CCR1 21/4885CSNK1E 3498/4885SLC15A1 2584/4885

“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.