SCHEMBL22472749

SCHEMBL22472749

CCCCO[C@H]1C[C@H]2CC[C@H](C1)[C@H]2NC(=O)c1ncn2c(C)cc(C)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.35
HTR1B P28222 1/20 0.34
HTR2B P41595 1/20 0.34
CNR2 P34972 4/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
CD38 P28907 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TSHR P16473 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 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
SCHEMBL17730372 1.00 HSD11B1 (0.35) HSD11B1HTR1BHTR2BCNR2HTR3E
SCHEMBL19629455 1.00 HSD11B1 (0.35) HSD11B1HTR1BHTR2BCNR2HTR3E
SCHEMBL17730370 1.00 HSD11B1 (0.35) HSD11B1HTR1BHTR2BCNR2HTR3E
SCHEMBL23490414 1.00 HSD11B1 (0.35) HSD11B1HTR1BHTR2BCNR2HTR3E
SCHEMBL17730373 1.00 HSD11B1 (0.35) HSD11B1HTR1BHTR2BCNR2HTR3E
SCHEMBL23490715 1.00 HSD11B1 (0.35) HSD11B1HTR1BHTR2BCNR2HTR3E
SCHEMBL19438199 0.89 HSD11B1 (0.41) HSD11B1CNR2KDM4EALDH1A1CD38
SCHEMBL19681757 0.89 HSD11B1 (0.41) HSD11B1CNR2HTR3EHTR3BHTR3A
SCHEMBL23901462 0.89 HSD11B1 (0.41) HSD11B1CNR2KDM4EALDH1A1CD38
SCHEMBL20938467 0.89 HSD11B1 (0.41) HSD11B1CNR2KDM4EALDH1A1CD38

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-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders LYSOSOMAL THERAPEUTICS INC. (US) 2020-09-29 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-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders GBA1, GAA, SNCA HSD11B1 4513/4885HTR1B 1264/4885HTR2B 2346/4885

“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.