SCHEMBL24792916

SCHEMBL24792916

O=c1[nH]c2ccc(N3CCC[C@H]4CNC[C@H]43)cc2o1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
ALPL P05186 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NOS1 P29475 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TSHR P16473 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL24793585 0.77 PKM (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL23123455 0.76 NOS1 (0.45) ALPLMEN1KMT2AMAPTLMNA
SCHEMBL24792918 0.74 EPHX2 (0.41) KMT2A
SCHEMBL29751884 0.71 NOS1 (0.40) ALPLMEN1KMT2AMAPTLMNA
SCHEMBL13862151 0.69 NOS1 (0.49) HTR2AHTR2CHTR2BALPLMEN1
SCHEMBL30493311 0.69 NOS1 (0.49) HTR2AHTR2CHTR2BALPLMEN1
Hydrochloric Acid SCHEMBL23123152 0.68 NOS1 (0.47) HTR2AHTR2CHTR2BALPLMEN1
SCHEMBL653000 0.67 HTR2C (0.43) HTR2AHTR2CHTR2BHRH3
SCHEMBL653001 0.67 HTR2C (0.43) HTR2AHTR2CHTR2BHRH3
SCHEMBL652999 0.67 HTR2C (0.43) HTR2AHTR2CHTR2BHRH3

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-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL R&D INVEST S A (PT) 2022-12-22 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-20220402901-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS ASAH2, ASAH1, GBA1 HTR2A 2929/4885HTR2C 3215/4885HTR2B 2772/4885

“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.