SCHEMBL3176889

SCHEMBL3176889

Cc1cc2cccc3c2n1C(CN1CCOCC1)[C@H](C(=O)c1cccc2ccccc12)O3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.52
CNR2 P34972 9/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RGS12 O14924 1/20 0.49
GMNN O75496 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49

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
SCHEMBL4089479 1.00 CNR1 (0.52) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL31318122 1.00 CNR1 (0.52) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL5792357 0.96 CNR1 (0.55) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL31318123 0.96 CNR1 (0.55) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL3011354 0.96 CNR1 (0.55) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL7024508 0.78 CNR1 (0.42) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL4089485 0.78 SSTR4 (0.35) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL5792354 0.75 ALDH1A1 (0.38) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL17237462 0.75 ALDH1A1 (0.38) CNR1CNR2ALDH1A1MAPTNPC1
SCHEMBL9700462 0.70 CNR1 (0.66) CNR1CNR2ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077322-A1 Protection of neurons against glutamate-induced damage in glaucoma and other conditions AYOUB GEORGE S (US) 2002-06-20 US claimed
EP-1919471-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR MERCK SHARP & DOHME (NL) 2014-01-08 EP disclosed
EP-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 EP disclosed
US-7772227-B2 Tricyclic 1-[(indol-3-yl)carbonyl]piperazine derivatives as cannabinoid CB1 receptor agonists N.V. ORGANON (NL) 2010-08-10 US disclosed
US-7763732-B2 7-Chloro-3-({5-[N-(morpholin-1-ylcarboxamido)methyl]aminomethyl}-([1,2,4]-thiadiazol-3-yl))-1-(tetrahydropyran-4-yl)methyl-1H-indole, hydrochloride salt; treatment of pain N.V. ORGANON (NL) 2010-07-27 US disclosed
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US disclosed
US-20090275649-A1 Compositions And Methods For Identifying Modulars Of TRPV2 QIN NING 2009-11-05 US disclosed
US-20090275649-A1 Compositions And Methods For Identifying Modulars Of TRPV2 QIN NING 2009-11-05 US disclosed
US-7575882-B2 Compositions and methods for identifying modulators of TRPV2 JANSSEN PHARMACEUTICA N. V. (BE) 2009-08-18 US disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 US disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 US disclosed
US-20070105086-A1 Compositions and methods for identifying modulators of TRPV2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 US disclosed
US-20070105086-A1 Compositions and methods for identifying modulators of TRPV2 JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 US disclosed
US-20070088025-A1 such as (R)-3-Cyclohexyl-2,3-dihydro-6-(4-ethylpiperazin-1-ylcarbonyl)pyrrolo[1,2,3-de]-1,4-benzoxazine hydrochloride salt, used as analgesics for the treatment of post-operative pain, chronic pain neuropathic pain, cancer pain and spasticity associated with multiple sclerosis AKZO NOBEL N.V. (NL) 2007-04-19 US disclosed
EP-1696930-B1 TRICYCLIC 1-((3-INDOL-3-YL)CARBONYL)PIPERAZINE DERIVATIVES AS CANNABINOID CB1 RECEPTOR AGONISTS ORGANON NV (NL) 2007-04-11 EP disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
WO-2002047691-A9 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2003-11-20 WO disclosed
WO-2002047691-A1 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2002-06-20 WO 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-20080207598-A1 INDOLE DERIVATIVES CNR1, CNR2, OPRD1 CNR1 1/4885CNR2 2/4885ALDH1A1 4175/4885
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885ALDH1A1 1616/4885
US-20070088025-A1 such as (R)-3-Cyclohexyl-2,3-dihydro-6-(4-ethylpiperazin-1-ylcarbonyl)pyrrolo[1,2,3-de]-1,4-benzoxazine hydrochloride salt, used as analgesics for the treatment of post-operative pain, chronic pain neuropathic pain, cancer pain and spasticity associated with multiple sclerosis OPRD1, OPRK1, OPRM1 CNR1 4/4885CNR2 6/4885ALDH1A1 2439/4885
US-20090275649-A1 Compositions And Methods For Identifying Modulars Of TRPV2 TRPV2, TRPV1, TRPV3 CNR1 21/4885CNR2 8/4885ALDH1A1 4776/4885

“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.