SCHEMBL3372732

SCHEMBL3372732

O=C(NC12CC3CC(CC(C3)C1)C2)c1scc2c1OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.58
HTT P42858 5/20 0.58
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CNR1 P21554 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL2638088 0.87 HTT (0.50) BAZ2BHTTTSHRUSP2NPSR1
SCHEMBL2638087 0.85 HTT (0.48) BAZ2BHTTTSHRUSP2NPSR1
SCHEMBL1578610 0.79 GRM5 (0.45) BAZ2BHTTTSHRNPSR1ALDH1A1
SCHEMBL15163076 0.75 HTT (0.43) BAZ2BHTTTSHRUSP2NPSR1
SCHEMBL11271454 0.74 MAPT (0.57) HTTTSHRUSP2NPSR1ALDH1A1
SCHEMBL1341232 0.70 BAZ2B (0.65) BAZ2BHTTTSHRNPSR1ALDH1A1
SCHEMBL15778667 0.69 NPSR1 (0.73) BAZ2BHTTTSHRNPSR1ALDH1A1
SCHEMBL23529716 0.68 BAZ2B (0.67) BAZ2BHTTTSHRNPSR1ALDH1A1
SCHEMBL26844606 0.67 BAZ2B (0.61) BAZ2BHTTTSHRNPSR1ALDH1A1
SCHEMBL30834637 0.67 BAZ2B (0.61) BAZ2BHTTTSHRNPSR1ALDH1A1

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-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 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-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B BAZ2B 3777/4885HTT 2049/4885TSHR 1530/4885

“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.