SCHEMBL3799557

SCHEMBL3799557

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nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
TACR1 P25103 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
PDE4B Q07343 1/20 0.45
MC4R P32245 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRCP P42785 4/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL3798837 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TACR1GPR119PDE4BMC4R
SCHEMBL3803361 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TACR1GPR119PDE4BMC4R
SCHEMBL4410764 0.92 MC4R (0.49) SMN1; SMN2GPR119MC4RMEN1KMT2A
SCHEMBL4414387 0.92 MC4R (0.49) SMN1; SMN2GPR119MC4RMEN1KMT2A
SCHEMBL4938875 0.92 MC4R (0.49) SMN1; SMN2GPR119MC4RMEN1KMT2A
SCHEMBL3811657 0.90 TACR1 (0.45) SMN1; SMN2TACR1GPR119PDE4BMEN1
SCHEMBL3695315 0.90 GPR119 (0.47) TACR1GPR119PDE4BMEN1KMT2A
SCHEMBL13493029 0.90 MC4R (0.50) SMN1; SMN2TACR1PDE4BMC4R
SCHEMBL1267149 0.90 MC4R (0.50) SMN1; SMN2TACR1PDE4BMC4R
SCHEMBL3968947 0.90 MC4R (0.50) SMN1; SMN2TACR1PDE4BMC4R

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 5 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
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO 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 SMN1; SMN2 4668/4885TACR1 379/4885GPR119 38/4885

“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.