SCHEMBL2109099

SCHEMBL2109099

O=C(c1ccc(Cl)c(Cl)c1)N1CCC2(CC1)CSc1ccc(CN3C(=O)c4ccccc4C3=O)cc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
STAT1 P42224 1/20 0.47
POLB P06746 3/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL2920191 0.84 HPGD (0.46) HPGDPOLBMEN1KMT2A
SCHEMBL3438856 0.84 KMT2A (0.50) HPGDPOLBMEN1KMT2A
SCHEMBL2110061 0.81 HPGD (0.52) HPGDPOLBKMT2A
SCHEMBL10258877 0.80 KMT2A (0.39) HPGDPOLBMEN1KMT2A
SCHEMBL3652129 0.79 HTR1A (0.38) HPGDPOLBMEN1KMT2A
SCHEMBL10288026 0.77 HTR1A (0.39) MEN1KMT2A
SCHEMBL6983350 0.74 HTR1A (0.55) HPGDPOLBKMT2A
SCHEMBL18668985 0.69 ALDH1A1 (0.70) TP53ALDH1A1MAPTHTTMEN1
SCHEMBL3841546 0.69 TACR1 (0.55) TP53ALDH1A1HPGDPOLBKMT2A
SCHEMBL3845345 0.67 AVPR1A (0.57) HPGDPOLBKMT2A

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 TP53 4763/4885LMNA 1913/4885ALDH1A1 450/4885
US-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 TP53 4763/4885LMNA 1913/4885ALDH1A1 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.