SCHEMBL5033647

SCHEMBL5033647

Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NC1CCC(NC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
CYP26A1 O43174 2/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 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
SCHEMBL5033751 0.85 LMNA (0.39) LMNAALDH1A1PKML3MBTL1RAB9A
SCHEMBL5033745 0.85 LMNA (0.39) LMNAALDH1A1PKML3MBTL1RAB9A
SCHEMBL5033631 0.82 CCR2 (0.43) LMNAALDH1A1PKML3MBTL1RAB9A
SCHEMBL5033628 0.82 CCR2 (0.43) LMNAALDH1A1PKML3MBTL1RAB9A
SCHEMBL5033633 0.82 CCR2 (0.43) LMNAALDH1A1PKML3MBTL1RAB9A
SCHEMBL5033652 0.80 NPSR1 (0.48) LMNAALDH1A1RAB9ANPC1TP53
SCHEMBL5033646 0.80 NPSR1 (0.48) LMNAALDH1A1RAB9ANPC1TP53
SCHEMBL13753347 0.72 LMNA (0.58) LMNAALDH1A1PKML3MBTL1RAB9A
SCHEMBL5031861 0.72 CCR2 (0.63) RAB9A
SCHEMBL5029632 0.71 CCR2 (0.46) RAB9ANPC1KMT2AMEN1

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
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 EP disclosed
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 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-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 LMNA 4639/4885ALDH1A1 827/4885PKM 3395/4885

“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.