SCHEMBL1671484

SCHEMBL1671484

NCc1ccc2c(c1)C1(CCNCC1)CO2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.49
PRSS2 P07478 11/20 0.49
PRSS3 P35030 11/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL29941779 1.00 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438833 0.85 PARP1 (0.44) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438831 0.85 PRSS1 (0.51) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14879763 0.79 PRSS1 (0.41) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL8040140 0.78 PRSS1 (0.41) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL12084866 0.77 HTR2C (0.46)
SCHEMBL15780787 0.77 MMP12 (0.41) PRSS1PRSS2PRSS3
SCHEMBL3742950 0.77 HTR2C (0.46)
SCHEMBL320695 0.77 OPRM1 (0.43) PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL2800247 0.76 HTR2C (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO claimed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
EP-2224803-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2010-09-08 EP disclosed
WO-2009067202-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-28 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS PRSS1 3204/4885PRSS2 3599/4885PRSS3 4002/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A PRSS1 4125/4885PRSS2 4301/4885PRSS3 4028/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 PRSS1 2733/4885PRSS2 2788/4885PRSS3 3354/4885

“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.