SCHEMBL31625697

SCHEMBL31625697

CC(C)(C=CC#N)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.32
LMNA P02545 4/20 0.32
HTT P42858 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP1A2 P05177 2/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KHK P50053 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31
KCNH2 Q12809 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL31625702 0.77 POLB (0.31) SMN1; SMN2
SCHEMBL24037903 0.76 MAP3K12 (0.32)
SCHEMBL18345380 0.76
SCHEMBL29412959 0.76 MAP3K12 (0.32)
SCHEMBL29497233 0.74 ALDH1A1 (0.38) ALDH1A1GAAMAPTKDM4E
SCHEMBL22096205 0.73 MEN1 (0.34) ALDH1A1LMNASMN1; SMN2MAPK1TSHR
SCHEMBL15710716 0.71 MEN1 (0.36) ALDH1A1HTTSMN1; SMN2HPGDMAPK1
SCHEMBL15415800 0.71 KDM4E (0.51) ALDH1A1LMNAHTTNPSR1GAA
SCHEMBL1266718 0.69 SMN1; SMN2 (0.35) ALDH1A1LMNAHTTGAASMN1; SMN2
SCHEMBL578268 0.69 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2MAPK1TSHR

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-20250197402-A1 Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2025-06-19 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-20250197402-A1 Tyrosine Kinase Inhibitors BTK, LYN, SYK ALDH1A1 4552/4885LMNA 4008/4885HTT 2961/4885

“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.