SCHEMBL3374041

SCHEMBL3374041

COc1cccc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)c1F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.59
FAAH O00519 7/20 0.59
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PBK Q96KB5 3/20 0.48
CNR1 P21554 2/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 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
SCHEMBL2637643 0.87 CNR2 (0.76) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL3374035 0.87 CNR2 (0.57) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL2638112 0.83 PBK (0.50) CNR2FAAHPBK
SCHEMBL3377066 0.81 PBK (0.48) CNR2FAAHPBK
SCHEMBL1876596 0.80 GRM5 (0.55) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL3377756 0.78 CNR2 (0.61) CNR2FAAHMEN1KMT2APBK
SCHEMBL15163044 0.77 CNR2 (0.47) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL2638572 0.76 PBK (0.52) CNR2FAAHPBKCNR1
SCHEMBL2638888 0.76 CNR2 (0.76) CNR2FAAHMEN1KMT2APBK
SCHEMBL2638618 0.75 POLB (0.56) CNR2FAAHPBKPKM

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 CNR2 1628/4885FAAH 2836/4885MEN1 78/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 CNR2 1603/4885FAAH 2727/4885MEN1 79/4885
US-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B CNR2 1681/4885FAAH 2906/4885MEN1 67/4885

“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.