Sugi Predict

Sugi Predict / Compounds / SCHEMBL3378752

SCHEMBL3378752

SCHEMBL3378752

NC12CC3CC(C1)CC(NC(=O)C1CC1(F)F)(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PBK Q96KB5 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ DPP8 Q6V1X1 4/20 0.40
▸ DPP9 Q86TI2 4/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ THRB P10828 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34

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
SCHEMBL3378317 0.83 PBK (0.40) PBKPOLBDPP8DPP9PKM
SCHEMBL3378749 0.82 HSD11B1 (0.40) PKMTSHREPHX2EPHX1
SCHEMBL2638013 0.81 EPHX2 (0.57) EPHX2EPHX1
SCHEMBL529068 0.78 POLB (0.50) PBKPOLBDPP8DPP9PKM
SCHEMBL3375706 0.78 PBK (0.41) PBKPOLBDPP8DPP9PKM
SCHEMBL2638326 0.78 TSHR (0.42) PBKPOLBDPP8DPP9PKM
SCHEMBL2638369 0.78 EPHX2 (0.41) PBKPOLBDPP8DPP9PKM
SCHEMBL3375841 0.77 EPHX1 (0.42) PBKPOLBDPP8DPP9PKM
SCHEMBL6058450 0.77 TSHR (0.46) PBKPOLBDPP8DPP9PKM
SCHEMBL15105752 0.76 TSHR (0.40) PBKPOLBDPP8DPP9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 — — EP claimed
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 — — US claimed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 — — US disclosed
EP-2310356-B1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME LUNDBECK & CO AS H (DK) 2013-08-14 — — EP disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 — — US disclosed
US-8389519-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2013-03-05 — — US disclosed
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-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 (3 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 PBK 4394/4885POLB 4605/4885DPP8 286/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 PBK 4419/4885POLB 4648/4885DPP8 268/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B PBK 4400/4885POLB 4668/4885DPP8 367/4885

“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.