SCHEMBL23965741

SCHEMBL23965741

COC[C@H]1CCCN1c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE10A Q9Y233 1/20 0.45
MAPT P10636 3/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
PKM P14618 1/20 0.43
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42

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
SCHEMBL18344192 0.83 ADORA2A (0.42) RAB9ANPC1SMN1; SMN2POLBPDE10A
SCHEMBL21638128 0.83 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL21638127 0.83 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5674922 0.83 NPC1 (0.50) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL5674913 0.83 NPC1 (0.50) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL9032005 0.83 NPC1 (0.50) RAB9ANPC1SMN1; SMN2CYP1A2POLB
SCHEMBL9032154 0.79 ATP4A (0.41) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL20296756 0.79 ADORA2A (0.42) SMN1; SMN2CYP1A2ADORA2AADORA1
SCHEMBL9031383 0.79 ATP4A (0.41) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL9032163 0.79 ATP4A (0.41) RAB9ANPC1SMN1; SMN2MAPTTP53

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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB RAB9A 2878/4885NPC1 1739/4885SMN1; SMN2 4557/4885

“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.