SCHEMBL965747

SCHEMBL965747

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.45
EPHX1 P07099 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL12104335 0.91 ALDH1A1 (0.51) ALDH1A1KMT2ARXFP1TSHREPHX1
SCHEMBL6058547 0.85 EPHX1 (0.53) ALDH1A1KMT2ARXFP1TSHREPHX1
SCHEMBL6229787 0.84 ALDH1A1 (0.43) ALDH1A1KMT2ARXFP1EPHX1NPC1
SCHEMBL6228100 0.84 ALDH1A1 (0.43) ALDH1A1KMT2ARXFP1EPHX1NPC1
SCHEMBL6058833 0.83 RXFP1 (0.57) ALDH1A1KMT2ARXFP1TSHREPHX1
SCHEMBL6058360 0.82 KMT2A (0.48) ALDH1A1KMT2ARXFP1TSHREPHX1
SCHEMBL5805076 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ARXFP1TSHRRAB9A
SCHEMBL5608005 0.79 TSHR (0.47) ALDH1A1KMT2ARXFP1TSHREPHX1
SCHEMBL29602546 0.79 TSHR (0.47) ALDH1A1KMT2ARXFP1TSHREPHX1
SCHEMBL9915219 0.79 ALDH1A1 (0.47) ALDH1A1KMT2ATSHREPHX1PKM

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
US-8716284-B2 Adamantyl diamide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-05-06 US disclosed
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-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US disclosed
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2013-07-18 US disclosed
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 EP disclosed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
EP-0897747-B1 NITRATION OR CARBOXYLATION CATALYSTS DAICEL CHEM (JP) 2006-04-05 EP disclosed
EP-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 ALDH1A1 1171/4885KMT2A 2140/4885RXFP1 164/4885
US-20130184277-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, PDE3B, ADM2 ALDH1A1 121/4885KMT2A 2991/4885RXFP1 722/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 ALDH1A1 81/4885KMT2A 2711/4885RXFP1 737/4885
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 ALDH1A1 570/4885KMT2A 3097/4885RXFP1 2176/4885

“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.