SCHEMBL914848

SCHEMBL914848

CC(C)COc1cccc2[nH]c(C(=O)NC3CCN(C[C@@H](C)O)CC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.45
PARP1 P09874 1/20 0.45
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 8/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL914669 1.00 SLC2A1 (0.45) SLC2A1PARP1SCN1ASCN5ASCN9A
SCHEMBL914823 0.89 PARP1 (0.43) PARP1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL914311 0.88 PARP1 (0.43) PARP1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL914473 0.88 KMT2A (0.44) PARP1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL914372 0.88 PARP1 (0.43) SLC2A1PARP1KDM4EALDH1A1CYP1A2
SCHEMBL914256 0.88 KMT2A (0.44) PARP1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL914856 0.88 KMT2A (0.43) SLC2A1PARP1SCN1ASCN5ASCN9A
SCHEMBL915767 0.88 RHEB (0.53) KDM4EALDH1A1KMT2A
SCHEMBL913763 0.87 KMT2A (0.46) SLC2A1PARP1KDM4EALDH1A1CYP1A2
SCHEMBL913827 0.87 KMT2A (0.46) SLC2A1PARP1KDM4EALDH1A1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 SLC2A1 820/4885PARP1 2933/4885SCN1A 2218/4885

“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.