SCHEMBL29954061

SCHEMBL29954061

COc1ccccc1C(=O)N[C@@H]1C[C@@H]1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.55
FAAH O00519 1/20 0.55
CNR2 P34972 1/20 0.55
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
STAT3 P40763 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
GRM2 Q14416 1/20 0.52
GRM3 Q14832 1/20 0.52
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
P2RX7 Q99572 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50

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
SCHEMBL30855457 0.85 CTSD (0.49) CTSDFAAHCNR2NPC1SMN1; SMN2
SCHEMBL30855447 0.84 KMT2A (0.54) CTSDFAAHCNR2NPC1SMN1; SMN2
SCHEMBL30848554 0.84 KMT2A (0.54) CTSDFAAHCNR2NPC1SMN1; SMN2
SCHEMBL16018368 0.80 NPC1 (0.58) NPC1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL2542357 0.80 TAS1R3 (0.68) CTSDNPC1STAT3KMT2AMEN1
SCHEMBL22714935 0.79 HCRTR1 (0.47)
SCHEMBL13310007 0.78 CTSD (0.54) CTSDFAAHCNR2NPC1STAT3
SCHEMBL30848446 0.78 CTSD (0.58) CTSDFAAHCNR2NPC1SMN1; SMN2
SCHEMBL30013856 0.77 FAAH (0.56) CTSDFAAHCNR2NPC1SMN1; SMN2
SCHEMBL15880704 0.76 CTSD (0.55) CTSDFAAHCNR2NPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases ONCO3R THERAPEUTICS BV (BE) 2025-08-19 US disclosed
WO-2025068090-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2025-04-03 WO disclosed
US-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-10-27 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-20220340548-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES IL1B, IL1A, IL36G CTSD 701/4885FAAH 2470/4885CNR2 1387/4885
US-12391679-B2 Benzamide-substituted bicyclic imidazo- and pyrazolo-fused -pyridine, -pyrimide, and -pyridazine compounds for treatment of inflammatory diseases IL5, IL15, IL1A CTSD 1723/4885FAAH 2544/4885CNR2 1128/4885

“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.