SCHEMBL477836

SCHEMBL477836

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](COCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NAAA Q02083 1/20 0.36
AGTR2 P50052 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HRH4 Q9H3N8 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL22906947 0.81 CTSL (0.41) CTSLCTSBCTSKTSHRNAAA
SCHEMBL21028938 0.81 CTSL (0.41) CTSLCTSBCTSKTSHRNAAA
SCHEMBL21029509 0.81 CTSL (0.41) CTSLCTSBCTSKTSHRNAAA
SCHEMBL9343457 0.80 LMNA (0.39) TAAR1CTSLCTSBCTSKLMNA
SCHEMBL13662023 0.80 TAAR1 (0.36) TAAR1CTSLCTSBCTSKLMNA
SCHEMBL25307577 0.78 HRH4 (0.41) TAAR1CTSLCTSBCTSKLMNA
SCHEMBL25306582 0.78 HRH4 (0.41) TAAR1CTSLCTSBCTSKLMNA
SCHEMBL25308412 0.78 HRH4 (0.41) TAAR1CTSLCTSBCTSKLMNA
SCHEMBL9275285 0.78 LMNA (0.45) TAAR1LMNAHRH4HRH3
SCHEMBL724384 0.78 NAAA (0.41) CTSLCTSBCTSKNAAAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193713-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2015-11-24 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
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
EP-2222165-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-01 EP disclosed
EP-2219629-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-08-25 EP disclosed
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2009067613-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-05-28 WO 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-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC. 2008-03-06 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-20090105306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 TAAR1 44/4885CTSL 3390/4885CTSB 2384/4885
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 TAAR1 69/4885CTSL 3318/4885CTSB 2563/4885
US-20100093814-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 TAAR1 99/4885CTSL 981/4885CTSB 1096/4885
US-20080058335-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 TAAR1 92/4885CTSL 1000/4885CTSB 1018/4885

“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.