SCHEMBL23913676

SCHEMBL23913676

CC(C)(C)OC(=O)N1CCC(Cn2nc(CC(=O)O)c3ccccc3c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
NR2F2 P24468 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GPR39 O43194 1/20 0.46
AKR1B1 P15121 4/20 0.45
GPR119 Q8TDV5 1/20 0.45
DTYMK P23919 1/20 0.45
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
POLB P06746 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3R2 O00459 1/20 0.44

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
SCHEMBL23915443 0.94 MAPT (0.51) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23915515 0.90 NPC1 (0.49) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23914947 0.90 MAPT (0.55) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23966557 0.89 MAPT (0.56) MAPTKMT2AGPR39AKR1B1ADRA1A
SCHEMBL23915439 0.89 MAPT (0.49) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23966556 0.88 MAPT (0.58) MAPTKMT2ASMN1; SMN2GPR39AKR1B1
SCHEMBL23915513 0.85 NPC1 (0.46) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23914636 0.84 SMN1; SMN2 (0.50) MAPTKMT2ANPC1LMNANR2F2
SCHEMBL23914736 0.83 MAPT (0.52) MAPTKMT2AAKR1B1ADRA1AHRH1
SCHEMBL23915524 0.83 MAPT (0.67) MAPTKMT2AGPR39AKR1B1POLB

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885KMT2A 2974/4885NPC1 467/4885

“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.