SCHEMBL5142276

SCHEMBL5142276

CC(=O)NC1CCCCC1(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
CTSL P07711 3/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
ALOX15 P16050 1/20 0.40
CTSK P43235 1/20 0.40
FAAH O00519 1/20 0.40
ADRB2 P07550 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL5142279 0.90 MAPK1 (0.43) MAPK1CYP2C19CTSLRAB9ANPC1
SCHEMBL1756637 0.73 TRPA1 (0.46) CYP2C19RAB9ANPC1LMNAALDH1A1
SCHEMBL7735037 0.69 FAAH (0.47) MAPK1CYP2C19CTSLRAB9ANPC1
SCHEMBL29120775 0.68 LMNA (0.53) MAPK1CYP2C19CTSLALOX15CTSK
SCHEMBL11493586 0.68 ADRB2 (0.45) MAPK1CYP2C19CTSLRAB9ANPC1
SCHEMBL27797914 0.67 CTSL (0.46) MAPK1CYP2C19CTSLRAB9ANPC1
SCHEMBL1740252 0.67 MAPK1 (0.60) MAPK1CYP2C19CTSLCTSKFAAH
SCHEMBL10590807 0.67 CTSK (0.54) MAPK1CYP2C19CTSLALOX15CTSK
SCHEMBL1836676 0.67 CTSK (0.61) MAPK1CYP2C19CTSLCTSKFAAH
SCHEMBL7417055 0.66 MAPK1 (1.00) MAPK1CYP2C19ALOX15FAAHALDH1A1

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 MAPK1 359/4885CYP2C19 3710/4885CTSL 799/4885

“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.