SCHEMBL3438833

SCHEMBL3438833

CCc1ccc2c(c1)C1(CCNCC1)CO2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
PRSS1 P07477 10/20 0.37
PRSS2 P07478 10/20 0.37
PRSS3 P35030 10/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
S1PR5 Q9H228 2/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL1671484 0.85 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL29941779 0.85 PRSS1 (0.49) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL15780787 0.80 MMP12 (0.41) PRSS1PRSS2PRSS3BACE1KCNH2
SCHEMBL8040140 0.78 PRSS1 (0.41) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL3438836 0.78 SMN1; SMN2 (0.54) PRSS1PRSS2PRSS3
SCHEMBL3742950 0.77 HTR2C (0.46)
SCHEMBL12084866 0.77 HTR2C (0.46)
SCHEMBL320695 0.77 OPRM1 (0.43) PRSS1PRSS2PRSS3KCNH2
SCHEMBL14879763 0.77 PRSS1 (0.41) PRSS1PRSS2PRSS3MAOAMAOB
SCHEMBL14898222 0.77 PRSS1 (0.38) PRSS1PRSS2PRSS3MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 US disclosed
US-8536189-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS COSTANZO MICHAEL J (US) 2012-06-28 US disclosed
US-8158792-B2 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2009-06-25 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 (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-20120165327-A1 SPIROPIPERIDINES FOR USE AS TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 PARP1 2288/4885PRSS1 7/4885PRSS2 33/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 PARP1 2288/4885PRSS1 7/4885PRSS2 33/4885
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A PARP1 2628/4885PRSS1 4125/4885PRSS2 4301/4885

“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.