SCHEMBL13699060

SCHEMBL13699060

CC(C)CCCc1ccc(N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 10/20 0.46
CPB1 P15086 3/20 0.46
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
CPA1 P15085 2/20 0.42
NOS3 P29474 2/20 0.39

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
SCHEMBL24929052 0.89 CPB2 (0.46) CPB2CPB1GABRPGABRDGABRA1
SCHEMBL12243881 0.80 MEN1 (0.49) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL4154226 0.79 NFKB1 (0.54) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL6469100 0.79 CPB2 (0.48) CPB2CPB1GABRPGABRDGABRA1
SCHEMBL13699038 0.79 ALDH1A1 (0.42) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL21099154 0.78 CPB2 (0.41) CPB2GABRPGABRDGABRA1GABRB1
SCHEMBL10723761 0.78 RAB9A (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5132972 0.78 HTT (0.43) CPB2CPB1GABRPGABRDGABRA1
SCHEMBL10130836 0.77 CPB2 (0.57) CPB2CPB1GABRPGABRDGABRA1
SCHEMBL17184407 0.77 CYP2A6 (0.50) CPB2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
WO-2008019240-A2 3, 6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (2 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 CPB2 1453/4885CPB1 1295/4885GABRP 4221/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 CPB2 1833/4885CPB1 1836/4885GABRP 4666/4885

“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.