SCHEMBL3438836

SCHEMBL3438836

COC(=O)NCc1ccc2c(c1)C1(CCNCC1)CO2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.44
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1992569 0.89 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HTTHSD17B10PRSS1
SCHEMBL8040140 0.87 PRSS1 (0.41) SMN1; SMN2ALDH1A1HTTPRSS1PRSS2
SCHEMBL2910990 0.81 HDAC4 (0.51) TSHRALDH1A1KMT2AMEN1HPGD
SCHEMBL8051490 0.80 POLB (0.42) TSHRALDH1A1HTTPRSS1PRSS2
SCHEMBL3438833 0.78 PARP1 (0.44) PRSS1PRSS2PRSS3
SCHEMBL14879763 0.77 PRSS1 (0.41) PRSS1PRSS2PRSS3
SCHEMBL14898222 0.76 PRSS1 (0.38) PRSS1PRSS2PRSS3
SCHEMBL1671484 0.75 PRSS1 (0.49) PRSS1PRSS2PRSS3
SCHEMBL29941779 0.75 PRSS1 (0.49) PRSS1PRSS2PRSS3
SCHEMBL15772720 0.73 LMNA (0.41) SMN1; SMN2TSHRALDH1A1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 SMN1; SMN2 4323/4885TSHR 654/4885ALDH1A1 450/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 SMN1; SMN2 4323/4885TSHR 654/4885ALDH1A1 450/4885

“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.