SCHEMBL387707

SCHEMBL387707

Cc1cccc(N2CCN(C(=O)OCC(C)(C)C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
TGM2 P21980 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
TRPA1 O75762 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PARP1 P09874 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HTR1A P08908 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
SCHEMBL391090 0.86 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL391351 0.86 HRH3 (0.54) SMN1; SMN2HPGDMAPTALDH1A1MEN1
SCHEMBL4524210 0.83 CKS1B (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL390463 0.81 GPR119 (0.57) SMN1; SMN2HPGDALDH1A1KDM4ENPSR1
SCHEMBL20140758 0.79 CKS1B (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL389965 0.78 ALDH1A1 (0.64) SMN1; SMN2HPGDMAPTALDH1A1MEN1
SCHEMBL386627 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HPGDALDH1A1PARP1MEN1
SCHEMBL389963 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HPGDMAPTALDH1A1MEN1
SCHEMBL20339488 0.77 HTR3E (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL390651 0.77 NOS1 (0.49) SMN1; SMN2HPGDALDH1A1PARP1MEN1

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
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C HTR3E 586/4885HTR3B 233/4885HTR3A 383/4885

“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.