SCHEMBL742078

SCHEMBL742078

CN1CCC2(CC1)CC(=O)c1ccccc1O2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.65
ATM Q13315 1/20 0.60
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
EPHX2 P34913 4/20 0.58
HRH3 Q9Y5N1 1/20 0.57
EPHX1 P07099 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SCN5A Q14524 1/20 0.55
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53

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
SCHEMBL16503899 0.85 SIGMAR1 (0.65) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL29964739 0.84 SIGMAR1 (0.61) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL9963309 0.84 SIGMAR1 (0.61) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL30538348 0.84 ATM (0.64) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL31329795 0.83 L3MBTL1 (0.62) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL13790914 0.83 L3MBTL1 (0.62) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL18730487 0.83 SIGMAR1 (0.66) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL3222598 0.82 SIGMAR1 (0.66) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL2588053 0.82 SIGMAR1 (0.66) SIGMAR1ATMADRA1DADRA1AADRA1B
SCHEMBL11114131 0.82 ATM (0.64) SIGMAR1ATMADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO claimed
EP-2598517-B1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-9868763-B2 Modulators of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2018-01-16 US disclosed
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
EP-2023924-B1 ARYL-FUSED SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2016-08-03 EP disclosed
EP-3013810-A1 CHROMANE AND CHROMENE DERIVATIVES AND THEIR USE AS CRAC MODULATORS Lupin Limited (IN) 2016-05-04 EP 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-8927503-B2 Modulations of protease activated receptors THE UNIVERSITY OF QUEENSLAND (AU) 2015-01-06 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
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO disclosed
WO-2007063385-A2 SPIROCYCLIC AMINE HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-06-07 WO disclosed
US-20070021453-A1 Novel spirochromanone derivatives MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20040029904-A1 Spiro(2H-1benzopyran-2,4'-piperidine) derivates as glycine transport inhibitors MERCK SHARP & DOHME B.V. (NL) 2004-02-12 US disclosed
US-6645973-B1 Heterocyclic amines such as 1-carboxymethyl-4-(4-chlorophenyl) spiro(2H-1-benzopyran-2,4'-piperidine)hydrochloride used for therapy of nervous system disorders; Alzheimer's, Parkinson's and Huntington's disease AKZO NOBEL (NL) 2003-11-11 US disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 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-20070021453-A1 Novel spirochromanone derivatives HSD17B7, CYP11B2, CYP11B1 SIGMAR1 2865/4885ATM 559/4885ADRA1D 414/4885
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR SIGMAR1 175/4885ATM 4514/4885ADRA1D 941/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 SIGMAR1 1668/4885ATM 3491/4885ADRA1D 945/4885
US-20040029904-A1 Spiro(2H-1benzopyran-2,4'-piperidine) derivates as glycine transport inhibitors SLC6A7, SLC1A2, SLC6A1 SIGMAR1 514/4885ATM 4592/4885ADRA1D 432/4885

“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.