SCHEMBL5031822

SCHEMBL5031822

CC(C)(C)N(C(=O)O)[C@@H]1CC[C@H](N)[C@H](Cn2ccccc2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.33
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB1 P20618 1/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL5029129 0.79 CPB1 (0.43) LMNASMN1; SMN2
SCHEMBL5033644 0.72 CCR2 (0.31)
SCHEMBL5030244 0.72 TSHR (0.44) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL5030238 0.72 TSHR (0.44) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL20679495 0.69
SCHEMBL20679497 0.69
SCHEMBL5029526 0.67 CCR2 (0.35)
SCHEMBL1443143 0.67
SCHEMBL9897177 0.67
SCHEMBL965468 0.65 SIGMAR1 (0.49) LMNASMN1; 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 PSMB5 2854/4885PREP 1881/4885FAP 821/4885

“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.