SCHEMBL477846

SCHEMBL477846

CO[C@H]1C[C@@H](COCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
TSHR P16473 1/20 0.47
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NAAA Q02083 1/20 0.42
AGTR2 P50052 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL477845 1.00 CTSL (0.49) CTSLCTSBCTSKTSHRBCHE
SCHEMBL16316719 1.00 CTSL (0.49) CTSLCTSBCTSKTSHRBCHE
SCHEMBL22454254 0.85 CTSL (0.51) CTSLCTSBCTSKTSHRBCHE
SCHEMBL24207209 0.82 TSHR (0.50) CTSLCTSBCTSKTSHRBCHE
SCHEMBL12560332 0.82 CTSL (0.43) CTSLCTSBCTSKTSHRBCHE
SCHEMBL12560331 0.82 CTSL (0.43) CTSLCTSBCTSKTSHRBCHE
SCHEMBL12560330 0.82 CTSL (0.43) CTSLCTSBCTSKTSHRBCHE
Methoxymethane SCHEMBL967072 0.81 CTSL (0.48) CTSLCTSBCTSKTSHRBCHE
Methoxymethane SCHEMBL967074 0.81 CTSL (0.48) CTSLCTSBCTSKTSHRBCHE
SCHEMBL19738349 0.81 TSHR (0.41) CTSLCTSBCTSKTSHRBCHE

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 25 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-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 US 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
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 US disclosed
US-8546583-B2 Pain, inflammatory or immune disorders, neurological disorders, cancers of the immune system, respiratory disorders, cardiovascular disorders, neuroprotection; e.g. 5-chloro-N-[(2Z)-5-(1-hydroxy-1-methylethyl)-3-[((cis)-3-methoxycyclobutyl)methyl]-4-methyl-1,3-thiazol-2(3H)-ylidene]-2-methoxybenzamide ABBVIE INC. (US) 2013-10-01 US disclosed
EP-2222165-B1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2013-07-31 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 EP disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
US-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-23 US disclosed
WO-2009048936-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-04-16 WO 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
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 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 (7 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CTSL 3390/4885CTSB 2384/4885CTSK 3100/4885
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CTSL 1700/4885CTSB 1763/4885CTSK 3097/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CTSL 981/4885CTSB 1096/4885CTSK 2386/4885
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 CTSL 2459/4885CTSB 2754/4885CTSK 2596/4885
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof CYP11B2, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CTSL 2259/4885CTSB 2899/4885CTSK 2618/4885
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 CTSL 1157/4885CTSB 1683/4885CTSK 1808/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CTSL 1000/4885CTSB 1018/4885CTSK 2259/4885

“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.