SCHEMBL26061375

SCHEMBL26061375

CCCC(CCC)c1c(C#N)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
CYP11B2 P19099 3/20 0.38
POLB P06746 1/20 0.36
HTT P42858 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM5A P29375 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4C Q9H3R0 1/20 0.32
CDK2 P24941 1/20 0.31
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12868702 0.77 MAPT (0.44) MAPTCYP11B2POLBHTTSMN1; SMN2
SCHEMBL1196028 0.75 MAPT (0.42) MAPTCYP11B2POLBHTTSMN1; SMN2
SCHEMBL12311983 0.69 CYP11B2 (0.54) MAPTCYP11B2POLBHTTSMN1; SMN2
SCHEMBL24608658 0.68 MEN1 (0.33) CYP1A2CYP2C19LMNA
SCHEMBL945674 0.66
SCHEMBL17624317 0.65
SCHEMBL4349408 0.65
SCHEMBL175251 0.65
SCHEMBL15553785 0.65
SCHEMBL4520111 0.65

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-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF SAGE THERAPEUTICS, INC. 2023-08-10 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-20230250129-A1 NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF MC2R, NR3C2, AVPR1B MAPT 717/4885CYP11B2 134/4885POLB 4325/4885

“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.