SCHEMBL2280294

SCHEMBL2280294

CN1CCC(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.51
TAF1 P21675 1/20 0.50
HTR6 P50406 3/20 0.48
DRD2 P14416 2/20 0.47
HTR2A P28223 1/20 0.47
DRD3 P35462 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
DYRK1A Q13627 1/20 0.45
HIPK1 Q86Z02 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
HIPK3 Q9H422 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ASAH1 Q13510 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL12902348 0.84 DRD2 (0.51) QDPRHTR6DRD2HTR2ACARM1
SCHEMBL54932 0.83 DRD2 (0.63) QDPRDRD2CARM1PRMT6GRIN2B
SCHEMBL27948099 0.83 NPC1 (0.48) DRD2HTR2AHRH3GRIN2B
SCHEMBL27970665 0.82 HTR6 (0.48) QDPRTAF1HTR6DRD2HTR2A
Hydrochloric Acid SCHEMBL1481475 0.81 DRD2 (0.61) QDPRDRD2CARM1PRMT6GRIN2B
SCHEMBL28928224 0.80 KMO (0.49) DRD2DRD3
SCHEMBL11619057 0.79 HTR2C (0.61) QDPRDRD2HTR2ADRD3
SCHEMBL778007 0.78 KMO (0.56)
SCHEMBL8299573 0.78 DRD2 (0.52) DRD2DRD3
SCHEMBL10078845 0.77 QDPR (0.53) QDPRDRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-8901085-B2 2014-12-02 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-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-20130184226-A1 MODULATIONS OF PROTEASE ACTIVATED RECEPTORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-07-18 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (3 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 QDPR 1083/4885TAF1 4283/4885HTR6 314/4885
US-20140315796-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 QDPR 1582/4885TAF1 4169/4885HTR6 1440/4885
US-20150038402-A1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 QDPR 915/4885TAF1 4122/4885HTR6 355/4885

“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.