SCHEMBL3652129

SCHEMBL3652129

O=Cc1ccccc1C(=O)Cc1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)CS2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
ADRA1A P35348 4/20 0.36
DRD2 P14416 3/20 0.36
PKM P14618 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35

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
SCHEMBL10258877 0.88 KMT2A (0.39) HTR1AKMT2AMEN1HPGDPOLB
SCHEMBL10288026 0.88 HTR1A (0.39) HTR1AKMT2AMEN1ADRA1ADRD2
SCHEMBL2920191 0.81 HPGD (0.46) KMT2AMEN1HPGDPOLBPKM
SCHEMBL3438856 0.81 KMT2A (0.50) HTR1AKMT2AMEN1HPGDPOLB
SCHEMBL2109099 0.79 TP53 (0.49) KMT2AMEN1HPGDPOLB
SCHEMBL2110061 0.78 HPGD (0.52) HTR1AKMT2AHPGDPOLBADRA1A
SCHEMBL3841546 0.66 TACR1 (0.55) HTR1AKMT2AHPGDPOLBPKM
SCHEMBL4992623 0.64 AVPR1A (0.57) HTR1AKMT2AMEN1HPGDPOLB
SCHEMBL2109322 0.64 PRSS1 (0.61) KMT2AMEN1
SCHEMBL15788702 0.62 PRSS1 (0.40) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090163527-A1 Spiropiperidines for use as tryptase inhibitors TPSAB1, TPSB2, TPSD1 HTR1A 53/4885KMT2A 3421/4885MEN1 1062/4885

“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.