SCHEMBL4073014

SCHEMBL4073014

COc1ccc2c(CCNC(=O)[C@H](CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc3ccccc3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HPGD P15428 1/20 0.51
ACHE P22303 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
MTNR1A P48039 2/20 0.49
MTNR1B P49286 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46

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
SCHEMBL4068650 0.90 KMT2A (0.59) MAPK1ACHEMEN1KMT2AMAPT
SCHEMBL4058792 0.87 CTSD (0.44) MAPT
SCHEMBL4066448 0.84 REN (0.45) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL4073009 0.81 ACHE (0.49) MAPK1HPGDACHEMEN1KMT2A
SCHEMBL4071630 0.80 CTSD (0.51) HPGDMAPTNPC1RAB9AALDH1A1
SCHEMBL4068540 0.80 CCR1 (0.51) HPGDMEN1KMT2ARAB9AKDM4E
SCHEMBL4071980 0.80 CCR1 (0.54) KMT2ANPC1RAB9AGAA
SCHEMBL4066974 0.80 CCR1 (0.49) ANPEP
SCHEMBL4071320 0.78 CCR1 (0.48) ANPEP
SCHEMBL4060474 0.77 CCR1 (0.47) ANPEPERAP2ERAP1

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 4 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
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 MAPK1 468/4885HPGD 2583/4885ACHE 4439/4885

“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.