SCHEMBL4068388

SCHEMBL4068388

O=C(NO)C(CC(O)[CH]Cc1ccsc1)C1CCC(F)(F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.41
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CTSS P25774 1/20 0.33
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
C3AR1 Q16581 1/20 0.30
OPRM1 P35372 4/20 0.30
OPRD1 P41143 4/20 0.30
OPRL1 P41146 4/20 0.30
MME P08473 1/20 0.30

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 0.85 CCR1 (0.51) CCR1HDAC8C3AR1MME
SCHEMBL4072920 0.84 CCR1 (0.43) CCR1HDAC8HDAC6C3AR1OPRL1
SCHEMBL4066893 0.81 CCR1 (0.41) CCR1
SCHEMBL4068389 0.81 CCR1 (0.46) CCR1CHRM2CHRM1CHRM3CTSS
SCHEMBL4072995 0.79 CCR1 (0.40) CCR1HDAC8HDAC6
SCHEMBL4069330 0.79 CCR1 (0.42) CCR1HDAC8
SCHEMBL4072014 0.77 CCR1 (0.46) CCR1CHRM2CHRM1CHRM3C3AR1
SCHEMBL4071304 0.74 CCR1 (0.40) CCR1HDAC6
SCHEMBL4069604 0.73 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1MME
SCHEMBL4067524 0.69 NPC1 (0.40)

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 21/4885CHRM2 1831/4885CHRM1 2190/4885

“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.