SCHEMBL24253722

SCHEMBL24253722

O=CC(O)CCc1cn[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ENPP2 Q13822 15/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
KCNH2 Q12809 3/20 0.32
NAMPT P43490 1/20 0.31

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
SCHEMBL27944389 0.71 KDM4E (0.37) KDM4ETDP1ALDH1A1OPRM1OPRD1
SCHEMBL3731836 0.68 KDM4E (0.47) KDM4ETDP1ALDH1A1ENPP2KCNH2
SCHEMBL11883339 0.63 AKR1B1 (0.34)
SCHEMBL8476891 0.61 TBXAS1 (0.51) KDM4ETDP1
SCHEMBL22662827 0.61
SCHEMBL2322248 0.61 ACE (0.49) ALDH1A1
SCHEMBL16115175 0.60
SCHEMBL25300747 0.60
SCHEMBL26854315 0.59 KDM4E (0.35) KDM4ETDP1ALDH1A1OPRM1OPRD1
SCHEMBL13710508 0.59

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-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-02-17 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-20220048909-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF REN, NR3C2, PKD1 KDM4E 2714/4885TDP1 3441/4885ALDH1A1 323/4885

“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.