SCHEMBL388013

SCHEMBL388013

CC(C)(C)COC(=O)N1CCN(c2ccc(Cl)nn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.54
PANK3 Q9H999 10/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL9310615 0.87 NPSR1 (0.57) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL1433407 0.83 TRPV1 (0.57) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL30778281 0.83 TRPV1 (0.57) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL1877788 0.82 PANK3 (0.58) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL391090 0.81 HTR3E (0.51) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL389547 0.81 SMN1; SMN2 (0.56) TRPV1PANK3SMN1; SMN2LMNAHTT
SCHEMBL593040 0.81 NPSR1 (0.51) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL31106285 0.79 CKS1B (0.54) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL18081409 0.79 CKS1B (0.54) TRPV1PANK3SMN1; SMN2MEN1KMT2A
SCHEMBL391564 0.79 SMO (0.43) SMN1; SMN2MEN1KMT2ALMNAHTT

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 9 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

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 TRPV1 97/4885PANK3 3436/4885SMN1; SMN2 960/4885

“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.