SCHEMBL3693071

SCHEMBL3693071

Cc1ccc(Cl)cc1N1CCN(C(=O)C2CN(S(=O)(=O)c3cccc4cccnc34)CCN2c2ccc(F)cc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
USP2 O75604 2/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 2/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 3/20 0.49
ALOX15 P16050 1/20 0.49
THRB P10828 1/20 0.49
FABP1 P07148 1/20 0.49
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3691342 0.95 MAPK1 (0.51) ALDH1A1MAPK1NPSR1USP2PKM
SCHEMBL3697670 0.93 ALDH1A1 (0.63) ALDH1A1MAPK1NPSR1USP2PKM
SCHEMBL3689998 0.88 MAPT (0.48) ALDH1A1NPSR1USP2TSHRMAPT
SCHEMBL3646536 0.87 SMN1; SMN2 (0.50) ALDH1A1NPSR1USP2TSHRMAPT
SCHEMBL13269894 0.87 HTT (0.48) ALDH1A1NPSR1USP2TSHRMAPT
SCHEMBL27806676 0.85 MAPT (0.42) ALDH1A1MAPK1NPSR1USP2PKM
SCHEMBL3651969 0.84 LMNA (0.52) NPSR1USP2TSHRMAPTSMN1; SMN2
SCHEMBL3692614 0.83 MAPT (0.47) ALDH1A1MAPK1NPSR1USP2PKM
SCHEMBL3655511 0.83 FABP1 (0.59) ALDH1A1MAPK1NPSR1USP2PKM
SCHEMBL3651617 0.82 CNR1 (0.45) ALDH1A1NPSR1USP2MAPTSMN1; SMN2

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 10 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 claimed
US-8288541-B2 Piperazine amide derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-16 US claimed
EP-2188266-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-26 EP claimed
WO-2009021868-A2 NOVEL PIPERAZINE AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-02-19 WO claimed
US-20090048264-A1 PIPERAZINE AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-02-19 US claimed
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 ALDH1A1 1880/4885MAPK1 1306/4885NPSR1 109/4885

“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.