Sugi Predict

Sugi Predict / Compounds / SCHEMBL9915219

SCHEMBL9915219

SCHEMBL9915219

O=C(O)C12CC3CC(CC(NCl)(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9915220 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1GAATHRBTSHR
SCHEMBL14493665 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAATHRB
SCHEMBL13589980 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAATHRB
SCHEMBL164232 0.80 L3MBTL1 (0.58) ALDH1A1PKML3MBTL1GAATHRB
SCHEMBL965747 0.79 ALDH1A1 (0.56) ALDH1A1PKML3MBTL1TSHREPHX1
SCHEMBL5805076 0.78 ALDH1A1 (0.50) ALDH1A1PKML3MBTL1TSHREPHX2
Hydrochloric Acid SCHEMBL1061966 0.78 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAATHRB
Hydrochloric Acid SCHEMBL4712253 0.78 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAATHRB
SCHEMBL5486305 0.78 L3MBTL1 (0.56) ALDH1A1PKML3MBTL1GAATHRB
Hydrochloric Acid SCHEMBL4712251 0.78 L3MBTL1 (0.61) ALDH1A1PKML3MBTL1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-10-25 — — US disclosed
US-8198275-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2012-06-12 — — US disclosed
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-07-21 — — US disclosed
US-7947680-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S 2011-05-24 — — US disclosed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 — — US disclosed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 — — 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 (4 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-20120270873-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 ALDH1A1 123/4885PKM 3876/4885L3MBTL1 4856/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B ALDH1A1 105/4885PKM 3889/4885L3MBTL1 4842/4885
US-20110178086-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 ALDH1A1 123/4885PKM 3876/4885L3MBTL1 4856/4885
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 ALDH1A1 570/4885PKM 2313/4885L3MBTL1 4233/4885

“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.