SCHEMBL4034764

SCHEMBL4034764

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4cccnc34)C(C(=O)NC3CC3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
GFER P55789 1/20 0.61
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
HCRTR1 O43613 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 4/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL4034926 0.88 SMN1; SMN2 (0.50) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL1384751 0.88 SMN1; SMN2 (0.50) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL1381140 0.87 GAA (0.50) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL4033204 0.87 GAA (0.50) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL1382163 0.87 GAA (0.50) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL4034771 0.86 ALDH1A1 (0.53) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL4033037 0.85 SMN1; SMN2 (0.49) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL1382418 0.85 SMN1; SMN2 (0.49) TSHRGFERALDH1A1SMN1; SMN2HTT
SCHEMBL4035900 0.85 SMN1; SMN2 (0.49) TSHRGFERALDH1A1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL1381183 0.85 SMN1; SMN2 (0.49) TSHRGFERALDH1A1SMN1; SMN2HTT

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-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R TSHR 1619/4885GFER 1828/4885ALDH1A1 610/4885

“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.