SCHEMBL10159872

SCHEMBL10159872

CC(C)NC1CCc2ccsc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.40
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CXCR2 P25025 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL14449748 0.76 TAAR1 (0.42) TAAR1DRD2HTR1AHTR7DRD3
SCHEMBL10160444 0.74 LMNA (0.47) TAAR1DRD2CXCR2DRD3
SCHEMBL13377607 0.73 TAAR1 (0.38) TAAR1DRD2HTR1AHTR7DRD3
SCHEMBL25515603 0.70 TAAR1 (0.41) TAAR1DRD2HTR1AHTR7CXCR2
SCHEMBL13770917 0.70
SCHEMBL20982087 0.69 TAAR1 (0.39) TAAR1DRD2HTR1AHTR7DRD3
SCHEMBL15443229 0.69 TAAR1 (0.40) TAAR1DRD2HTR1AHTR7CXCR2
SCHEMBL18723644 0.69 TAAR1 (0.43) TAAR1DRD2HTR1AHTR7
SCHEMBL17209490 0.69 TAAR1 (0.43) TAAR1DRD2HTR1AHTR7DRD3
SCHEMBL14438322 0.68 PDPK1 (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (8 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 TAAR1 4276/4885DRD2 4763/4885HTR1A 1979/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 TAAR1 4452/4885DRD2 4502/4885HTR1A 3190/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 TAAR1 4581/4885DRD2 4453/4885HTR1A 2896/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TAAR1 4581/4885DRD2 4453/4885HTR1A 2896/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TAAR1 4581/4885DRD2 4453/4885HTR1A 2896/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TAAR1 4581/4885DRD2 4453/4885HTR1A 2896/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TAAR1 3108/4885DRD2 4595/4885HTR1A 1371/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TAAR1 4581/4885DRD2 4453/4885HTR1A 2896/4885

“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.