SCHEMBL4067803

SCHEMBL4067803

CC(C)(F)CC[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.56
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
USP2 O75604 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
SORT1 Q99523 1/20 0.43
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4068098 0.91 CCR1 (0.49) CCR1KMT2AANPEPERAP2ERAP1
SCHEMBL4068003 0.91 CCR1 (0.58) CCR1ALDH1A1LMNAMAPTCYP3A4
SCHEMBL6675017 0.90 CCR1 (0.61) CCR1ALDH1A1ANPEPCYP3A4
SCHEMBL7591156 0.90 CCR1 (0.61) CCR1ALDH1A1ANPEPCYP3A4
SCHEMBL4067751 0.85 TSHR (0.55) CCR1ALDH1A1MAPTSORT1
SCHEMBL4069924 0.83 CCR1 (0.50) CCR1ANPEPERAP2ERAP1CYP3A4
SCHEMBL4071571 0.83 CCR1 (0.49) CCR1ALDH1A1ANPEPERAP2ERAP1
SCHEMBL4071980 0.83 CCR1 (0.54) CCR1KMT2A
SCHEMBL4062733 0.82 CCR1 (0.51) CCR1KMT2APKMUSP2ALDH1A1
SCHEMBL4064045 0.82 CCR1 (0.61) CCR1MAPTANPEP

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 21/4885KMT2A 2539/4885PKM 3459/4885

“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.