SCHEMBL13625680

SCHEMBL13625680

CC(C)CCn1nnnc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HTT P42858 2/20 0.62
POLB P06746 1/20 0.62
HSD11B1 P28845 3/20 0.55
P2RX7 Q99572 3/20 0.50
IDE P14735 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CNR2 P34972 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL13625681 0.85 HSD11B1 (0.56) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL4403632 0.83 CNR2 (0.60) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL4408289 0.81 ALDH1A1 (0.71) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL4409130 0.79 ALDH1A1 (0.64) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL8055077 0.78 ALDH1A1 (0.68) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL10635287 0.78 ALDH1A1 (0.68) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL5799815 0.78 ALDH1A1 (0.68) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL12761225 0.78 ALDH1A1 (0.62) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL28880601 0.78 ALDH1A1 (0.62) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL1154434 0.78 ALDH1A1 (0.62) ALDH1A1HTTPOLBHSD11B1P2RX7

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 ALDH1A1 732/4885HTT 4223/4885POLB 3994/4885

“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.