SCHEMBL13625684

SCHEMBL13625684

CC(C)CCc1ccc(-c2ncccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.53
CLK4 Q9HAZ1 1/20 0.44
BRS3 P32247 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.34
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
USP1 O94782 2/20 0.34
EDNRB P24530 1/20 0.34

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
SCHEMBL10130811 0.81 ADRB2 (0.57) ADRB2CLK4KDM4EMEN1MAPT
SCHEMBL10511755 0.79 ADRB2 (0.59) ADRB2CLK4SMN1; SMN2KDM4EMEN1
SCHEMBL8080450 0.77 HTT (0.41) ADRB2SMN1; SMN2KDM4E
SCHEMBL24141070 0.76 MMP12 (0.53) SMN1; SMN2ALDH1A1RAB9AMMP12MMP13
SCHEMBL7029715 0.76 RAB9A (0.58) ADRB2CLK4SMN1; SMN2KDM4EMEN1
SCHEMBL11832107 0.75 ADRB2 (0.46) ADRB2MMP12MMP13
SCHEMBL6850753 0.75 ADRB2 (0.59) ADRB2CLK4SMN1; SMN2KDM4EMEN1
SCHEMBL23291109 0.75 ADRB2 (0.70) ADRB2SMN1; SMN2KDM4EALDH1A1CYP2A6
SCHEMBL6854054 0.75 ADRB2 (0.59) ADRB2CLK4SMN1; SMN2KDM4EMEN1
SCHEMBL6275261 0.75 ADRB2 (0.59) ADRB2CLK4SMN1; SMN2KDM4EMEN1

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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 ADRB2 4316/4885CLK4 2418/4885BRS3 634/4885

“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.