SCHEMBL4220733

SCHEMBL4220733

Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccc(Cl)cc4)CCN3C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MC4R P32245 1/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 3/20 0.44
USP2 O75604 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL3644407 0.91 LMNA (0.48) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL3647493 0.82 LMNA (0.52) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL3648551 0.81 LMNA (0.51) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL3645325 0.80 LMNA (0.50) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL3646495 0.77 LMNA (0.50) MAPTLMNASMN1; SMN2TSHRKMT2A
Hydrochloric Acid SCHEMBL3650273 0.77 LMNA (0.49) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL27955453 0.75 LMNA (0.49) MAPTLMNASMN1; SMN2TSHRKMT2A
SCHEMBL7890028 0.75 POLB (0.49) LMNAKMT2AMEN1POLB
SCHEMBL7893776 0.75 POLB (0.49) LMNAKMT2AMEN1POLB
SCHEMBL3648783 0.74 LMNA (0.51) MAPTLMNASMN1; SMN2TSHRTP53

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
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP disclosed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US disclosed
CN-101778831-A Novel piperazine amide derivatives HOFFMANN LA ROCHE 2010-07-14 CN disclosed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 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-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES NR1H2, NR1H3, NR1I2 MAPT 4226/4885LMNA 2374/4885SMN1; SMN2 4668/4885

“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.