SCHEMBL4069333

SCHEMBL4069333

NC(Cc1cccc(C(F)(F)F)c1)C(O)CC(C(=O)NO)C1CCC(F)(F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.47
HTR2A P28223 2/20 0.42
HTR2B P41595 2/20 0.42
HTR2C P28335 1/20 0.42
EPHX1 P07099 4/20 0.41
SMYD3 Q9H7B4 2/20 0.40
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
REN P00797 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 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
SCHEMBL3837106 0.86 CCR1 (0.60) CCR1REN
SCHEMBL4069330 0.82 CCR1 (0.42) CCR1EPHX1SMYD3UBE2MDCUN1D1
SCHEMBL4064301 0.81 CCR1 (0.46) CCR1EPHX1SMYD3DPP4
SCHEMBL4072923 0.81 CCR1 (0.50) CCR1DPP4DPP7DPP8DPP9
SCHEMBL4073007 0.80 CCR1 (0.46) CCR1HTR2CEPHX1DPP4DPP7
SCHEMBL4070844 0.80 CCR1 (0.45) CCR1HTR2AHTR2BHTR2CEPHX1
SCHEMBL4069433 0.79 EPHX1 (0.40) CCR1EPHX1DPP4DPP7DPP8
SCHEMBL4068389 0.79 CCR1 (0.46) CCR1DPP4DPP8DPP9
SCHEMBL4072973 0.78 HTT (0.41) HTR2AHTR2BHTR2CEPHX1SMYD3
SCHEMBL4071311 0.77 CCR1 (0.45) CCR1SLC6A4

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 21/4885HTR2A 2414/4885HTR2B 1817/4885

“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.