SCHEMBL4068183

SCHEMBL4068183

CC(C)(F)CCC(CC(O)C(N)Cc1ccccc1F)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.47
REN P00797 4/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
VNN1 O95497 1/20 0.35
RIPK1 Q13546 1/20 0.34
CTSL P07711 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34

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
SCHEMBL2675110 0.92 CCR1 (0.51) CCR1RENCTSSCTSKVNN1
SCHEMBL4066248 0.86 CCR1 (0.45) CCR1RENVNN1
SCHEMBL4064275 0.86 CCR1 (0.58) CCR1REN
SCHEMBL6832278 0.86 CCR1 (0.58) CCR1REN
Hydroxyamine SCHEMBL6688642 0.84 CCR1 (0.57) CCR1REN
SCHEMBL4061962 0.83 CCR1 (0.49) CCR1REN
SCHEMBL4070042 0.81 CCR1 (0.48) CCR1RENCTSSCTSK
SCHEMBL4060779 0.81 CCR1 (0.50) CCR1REN
SCHEMBL4072278 0.81 CCR1 (0.44) CCR1REN
SCHEMBL4066476 0.80 CCR1 (0.45) CCR1RENCTSSCTSK

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 21/4885REN 1314/4885CTSS 3882/4885

“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.