SCHEMBL4068864

SCHEMBL4068864

CC1CC(C(CC(O)C(N)Cc2cccnc2)C(=O)NO)CC(C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
DPP4 P27487 1/20 0.36
CYP2C9 P11712 2/20 0.35
MMP9 P14780 2/20 0.35
NAMPT P43490 1/20 0.35
MMP8 P22894 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
FDPS P14324 1/20 0.34
FPR1 P21462 1/20 0.34
TSHR P16473 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4069111 0.85 C3AR1 (0.45) CCR1
SCHEMBL4068860 0.78 CCR1 (0.36) CCR1CYP2C9NAMPTPKMKMT2A
SCHEMBL4068034 0.77 CCR1 (0.58) CCR1PKMKMT2A
SCHEMBL4072870 0.74 MMP9 (0.44) CCR1CYP2C9MMP9MMP8PKM
SCHEMBL4062299 0.72 CCR1 (0.47) CCR1DPP4
SCHEMBL4066838 0.71 CCR1 (0.50) CCR1DPP4KMT2AFDPS
SCHEMBL4247412 0.70 CCR1 (0.51) CCR1DPP4RECQLFDPSKDM4E
SCHEMBL3837106 0.68 CCR1 (0.60) CCR1MMP2
SCHEMBL4064706 0.67 CCR1 (0.40) CCR1DPP4NAMPTKMT2AALDH1A1
SCHEMBL4067528 0.67 SLC1A1 (0.40) CCR1DPP4KMT2AALDH1A1

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 4 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
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 21/4885DPP4 1477/4885CYP2C9 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.