SCHEMBL4065391

SCHEMBL4065391

CC(C)CC[C@H](C[C@H](O)[C@@H](N)CCc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 9/20 0.53
ERAP1 Q9NZ08 9/20 0.53
IL1RN P18510 3/20 0.53
CCR1 P32246 2/20 0.48
LNPEP Q9UIQ6 7/20 0.44
METAP2 P50579 4/20 0.44
METAP1 P53582 3/20 0.44
LAP3 P28838 2/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
GRIK1 P39086 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL7580246 0.88 CCR1 (0.54) ERAP2ERAP1IL1RNCCR1LNPEP
SCHEMBL6832228 0.88 CCR1 (0.54) ERAP2ERAP1IL1RNCCR1LNPEP
SCHEMBL4067470 0.79 CCR1 (0.44) ERAP2ERAP1IL1RNCCR1LNPEP
SCHEMBL8884009 0.78 CSNK1E (0.46) ERAP2ERAP1IL1RNMETAP2METAP1
SCHEMBL4070006 0.77 CCR1 (0.45) ERAP2ERAP1IL1RNCCR1LAP3
SCHEMBL4068026 0.76 CCR1 (0.40) ERAP2ERAP1IL1RNCCR1LNPEP
SCHEMBL4061788 0.75 CCR1 (0.46) ERAP2ERAP1IL1RNCCR1LNPEP
SCHEMBL30136523 0.75 ERAP1 (0.51) ERAP2ERAP1IL1RNANPEPGRIK1
SCHEMBL4071139 0.74 HTR2A (0.52) CCR1
SCHEMBL28028154 0.74 METAP2 (0.63) ERAP2ERAP1IL1RNMETAP2METAP1

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 ERAP2 2860/4885ERAP1 2888/4885IL1RN 214/4885

“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.