SCHEMBL9963309

SCHEMBL9963309

CC(C)N1CCC2(CC1)CC(=O)c1ccccc1O2

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
ATM Q13315 1/20 0.56
HRH3 Q9Y5N1 1/20 0.54
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
EPHX2 P34913 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 1/20 0.50
EPHX1 P07099 2/20 0.49
SCN5A Q14524 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
SCHEMBL29964739 1.00 SIGMAR1 (0.61) SIGMAR1ATMHRH3ADRA1DADRA1A
SCHEMBL742078 0.84 SIGMAR1 (0.65) SIGMAR1ATMHRH3ADRA1DADRA1A
SCHEMBL16503899 0.81 SIGMAR1 (0.65) SIGMAR1ATMHRH3ADRA1DADRA1A
SCHEMBL30538348 0.81 ATM (0.64) SIGMAR1ATMHRH3ADRA1DADRA1A
SCHEMBL4518944 0.80 HDAC3 (0.56) ATM
SCHEMBL21145503 0.80 CYP2D6 (0.46) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL31329795 0.80 L3MBTL1 (0.62) SIGMAR1ATMHRH3ADRA1DADRA1A
SCHEMBL13790914 0.80 L3MBTL1 (0.62) SIGMAR1ATMHRH3ADRA1DADRA1A
SCHEMBL9963313 0.79 HRH3 (0.52) SIGMAR1HRH3ADRA1DADRA1AADRA1B
SCHEMBL2588053 0.79 SIGMAR1 (0.66) SIGMAR1ATMHRH3ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-9701711-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-11 US disclosed
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2015-02-05 US disclosed
US-8927503-B2 Modulations of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-06 US disclosed
US-8901085-B2 2014-12-02 US disclosed
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2014-10-23 US disclosed
US-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-07-18 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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 (5 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-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SIGMAR1 2075/4885ATM 3361/4885HRH3 461/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR SIGMAR1 175/4885ATM 4514/4885HRH3 527/4885
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SIGMAR1 1537/4885ATM 3426/4885HRH3 1914/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SIGMAR1 152/4885ATM 3949/4885HRH3 250/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SIGMAR1 1668/4885ATM 3491/4885HRH3 404/4885

“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.