SCHEMBL22472756

SCHEMBL22472756

CCCCO[C@@H]1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1ncn3c(C)cc(C)nc13)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.38
HTR3E A5X5Y0 2/20 0.38
HTR3B O95264 2/20 0.38
HTR3D Q70Z44 2/20 0.38
HTR3C Q8WXA8 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 5/20 0.35
CNR1 P21554 2/20 0.33
HTR1B P28222 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL19629616 1.00 HTR3A (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17730314 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19629615 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19578989 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL19629614 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17730316 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17730315 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17730318 0.96 HTR3A (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25579932 0.94 HTR3A (0.38) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25581243 0.90 HTR3A (0.37) HTR3AHTR3EHTR3BHTR3DHTR3C

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-20210169886-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-10 US disclosed
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 (2 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-20210169886-A1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, SNCA HTR3A 1851/4885HTR3E 3035/4885HTR3B 2103/4885
US-10786508-B2 Substituted imidazo[1,5-A]-pyrimidines and their use in the treatment of medical disorders GBA1, GAA, SNCA HTR3A 2288/4885HTR3E 3447/4885HTR3B 2510/4885

“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.