SCHEMBL5033652

SCHEMBL5033652

Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)N[C@H]1CC[C@H](N(Cc2ccccc2)C(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.48
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 5/20 0.46
LMNA P02545 4/20 0.42
CYP26A1 O43174 1/20 0.42
CCR2 P41597 1/20 0.40
MEN1 O00255 3/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
HCRTR1 O43613 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL5033646 1.00 NPSR1 (0.48) NPSR1ALDH1A1KMT2ALMNACYP26A1
SCHEMBL5033647 0.80 LMNA (0.45) NPSR1ALDH1A1KMT2ALMNACYP26A1
SCHEMBL5033745 0.69 LMNA (0.39) ALDH1A1KMT2ALMNACYP26A1CCR2
SCHEMBL5033633 0.67 CCR2 (0.43) ALDH1A1KMT2ALMNACYP26A1CCR2
SCHEMBL5033628 0.67 CCR2 (0.43) ALDH1A1KMT2ALMNACYP26A1CCR2
SCHEMBL13753347 0.65 LMNA (0.58) ALDH1A1KMT2ALMNACYP26A1RAB9A
SCHEMBL13792985 0.62 MCHR1 (0.67) LMNA
SCHEMBL9782938 0.62 G6PC1 (0.47) ALDH1A1KMT2AMEN1HPGD
SCHEMBL18062678 0.62 GRIN2B (0.47) RAB9ANPC1
SCHEMBL27162493 0.62 GRIN2B (0.47) RAB9ANPC1

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 NPSR1 303/4885ALDH1A1 827/4885KMT2A 4093/4885

“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.