SCHEMBL13625681

SCHEMBL13625681

CC(C)CCn1nnnc1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
P2RX7 Q99572 7/20 0.53
ALDH1A1 P00352 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 3/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP2 O75604 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
IDE P14735 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL13625680 0.85 ALDH1A1 (0.62) HSD11B1P2RX7ALDH1A1HTTPOLB
SCHEMBL13637173 0.84 CYP1A2 (0.61) HSD11B1P2RX7ALDH1A1L3MBTL1HTT
SCHEMBL21206530 0.76 CYP2A6 (0.40) ALDH1A1HTTPOLBMEN1KMT2A
SCHEMBL5815710 0.69 P2RX7 (0.61) HSD11B1P2RX7ALDH1A1L3MBTL1POLB
SCHEMBL4403632 0.69 CNR2 (0.60) HSD11B1P2RX7ALDH1A1HTTPOLB
SCHEMBL6110896 0.69 IDE (0.41) P2RX7ALDH1A1L3MBTL1HTTMEN1
SCHEMBL13723103 0.69 LMNA (0.62) ALDH1A1HTTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL6356629 0.69 P2RX7 (0.60) HSD11B1P2RX7ALDH1A1L3MBTL1POLB
SCHEMBL13722780 0.68 NAMPT (0.65)
SCHEMBL23132271 0.68 CYP2A6 (0.69) CYP1A2CYP2C9CYP2C19CYP3A4CYP2A6

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-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

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 HSD11B1 613/4885P2RX7 866/4885ALDH1A1 732/4885

“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.