SCHEMBL408279

SCHEMBL408279

[c]1cn(CC2CC2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 2/20 0.32
HTR6 P50406 4/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7391821 0.92 NPSR1 (0.40) GRM2CNR1CNR2KDM4EALDH1A1
SCHEMBL5509595 0.89 CNR2 (0.44) CNR1CNR2
SCHEMBL23211828 0.77 CNR1 (0.36) GRM2CNR1CNR2
SCHEMBL17956243 0.77 KDM4E (0.47) CNR1CNR2KDM4EALDH1A1HSD17B10
SCHEMBL17956266 0.77 KDM4E (0.47) CNR1CNR2KDM4EALDH1A1HSD17B10
SCHEMBL3144002 0.76 HTR6 (0.36) GRM2HTR6
SCHEMBL17956189 0.73 SLC6A4 (0.44) NPSR1
SCHEMBL5514587 0.73 CNR2 (0.46) CNR1CNR2NPSR1
SCHEMBL9581979 0.73
SCHEMBL5497340 0.73 ALDH1A1 (0.34) GABRA5KDM4EALDH1A1NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-20050176769-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 US disclosed
EP-0337547-B1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME (GB) 1994-03-02 EP disclosed
US-4940703-A Spirocyclic compounds incorporating five-membered rings with two heteroatoms for treating psychotic disorders, etc. MERCK SHARP & DOHME LIMITED (GB) 1990-07-10 US disclosed
EP-0337547-A1 Spirocyclic compounds incorporating five-membered rings with two heteroatoms MERCK SHARP & DOHME LTD. (GB) 1989-10-18 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 GRM2 4880/4885HTR2A 3727/4885HTR2C 3442/4885
US-20050176769-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 GRM2 4880/4885HTR2A 3727/4885HTR2C 3442/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 GRM2 4880/4885HTR2A 3727/4885HTR2C 3442/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 GRM2 4880/4885HTR2A 3727/4885HTR2C 3442/4885

“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.