SCHEMBL23914917

SCHEMBL23914917

COC(=O)Cc1nn(CCN2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
NR2F2 P24468 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A4 P31645 16/20 0.49
HTR2A P28223 10/20 0.49
HTR2C P28335 8/20 0.49
DTYMK P23919 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL23915630 0.90 MAPT (0.54) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23966843 0.88 ALOX15 (0.51) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23966581 0.87 SLC6A4 (0.46) LMNASMN1; SMN2SLC6A4HTR2AHTR2C
SCHEMBL23915515 0.84 NPC1 (0.49) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23966582 0.82 SLC6A4 (0.48) SLC6A4HTR2AHTR2CRECQL
SCHEMBL23915623 0.82 RECQL (0.47) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23915513 0.80 NPC1 (0.46) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23914934 0.80 LMNA (0.51) NPC1LMNANR2F2HTTSMN1; SMN2
SCHEMBL23909042 0.79 TSHR (0.55) SMN1; SMN2RECQL
SCHEMBL23915514 0.77 SMN1; SMN2 (0.48) NPC1LMNANR2F2HTTSMN1; SMN2

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 NPC1 467/4885LMNA 449/4885NR2F2 2181/4885

“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.