SCHEMBL5033751

SCHEMBL5033751

Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)N[C@H]1CC[C@@H](NC(C)(C)C)C[C@@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
CYP26A1 O43174 3/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
CCR2 P41597 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5033745 1.00 LMNA (0.39) LMNAALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL5033628 0.89 CCR2 (0.43) LMNAALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL5033631 0.89 CCR2 (0.43) LMNAALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL5033633 0.89 CCR2 (0.43) LMNAALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL5033647 0.85 LMNA (0.45) LMNAALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL5030345 0.77 CCR2 (0.53) CCR2
SCHEMBL5030336 0.77 CCR2 (0.53) CCR2
SCHEMBL5030282 0.76 CCR2 (0.41) RAB9ACCR2
SCHEMBL5030311 0.76 CCR2 (0.41) RAB9ACCR2
SCHEMBL5030320 0.74 NPC1 (0.48) LMNAALDH1A1PKMRAB9ASMN1; SMN2

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 2 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
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.