SCHEMBL23965833

SCHEMBL23965833

COC1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.59
RAB9A P51151 14/20 0.59
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
NPC1 O15118 11/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
POLB P06746 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 2/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52

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
SCHEMBL23965836 0.92 SCD (0.54) SCDRAB9ATSHRALDH1A1PPARG
SCHEMBL12474909 0.86 SCD (0.59) SCDRAB9ATSHRALDH1A1PPARG
SCHEMBL23965751 0.85 RAB9A (0.54) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL27645217 0.84 RAB9A (0.63) SCDRAB9ATSHRALDH1A1PPARG
SCHEMBL27666188 0.83 SCD (0.63) SCDRAB9ATSHRALDH1A1PPARG
SCHEMBL18344186 0.81 RAB9A (0.49) SCDRAB9ATSHRALDH1A1PPARG
SCHEMBL21638217 0.81 SMN1; SMN2 (0.62) SCDRAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5243401 0.81 RAB9A (0.63) RAB9ATSHRALDH1A1PPARGNCOA2
SCHEMBL14143880 0.81 RAB9A (0.63) SCDRAB9ATSHRALDH1A1PPARG
SCHEMBL12474738 0.81 RAB9A (0.63) SCDRAB9ATSHRALDH1A1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3833434-B1 COMPOUNDS USEFUL IN MODULATING THE FARNESOID X RECEPTOR AND METHODS OF MAKING AND USING THE SAME INORBIT THERAPEUTICS AB (SE) 2021-12-15 EP disclosed
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 SCD 4595/4885RAB9A 2878/4885TSHR 3112/4885

“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.