SCHEMBL4073009

SCHEMBL4073009

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
MTNR1A P48039 3/20 0.47
MTNR1B P49286 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TRPV1 Q8NER1 4/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL4068648 0.90 KMT2A (0.52) ACHEMAPK1MEN1KMT2AMAPT
SCHEMBL4058791 0.87 CAPN1 (0.42) MEN1KMT2AMAPTMTNR1AMTNR1B
SCHEMBL4066447 0.84 MEN1 (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4071628 0.81 PLAAT3 (0.46) HPGDMEN1KMT2AMAPTNPC1
SCHEMBL4073014 0.81 MAPK1 (0.51) ACHEHPGDMAPK1MEN1KMT2A
SCHEMBL4068538 0.80 KDM4E (0.45) HPGDMEN1KMT2ARAB9A
SCHEMBL4071975 0.80 NPC1 (0.41) KMT2AMAPTNPC1RAB9AGAA
SCHEMBL4066973 0.80 HPGD (0.35) HPGDMAPK1
SCHEMBL4060470 0.78 PLAAT3 (0.41) NPC1RAB9AGAA
SCHEMBL4071319 0.78 ESRRG (0.41) MAPTNPC1RAB9A

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

“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.