SCHEMBL389756

SCHEMBL389756

CC(C)(C)COC(=O)N1CCN(c2cc(C#N)ccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
PANK3 Q9H999 3/20 0.53
CNR2 P34972 1/20 0.52
KCNH2 Q12809 2/20 0.43
OPRD1 P41143 1/20 0.43
DPP4 P27487 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 3/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
CHRM4 P08173 1/20 0.41
MGLL Q99685 1/20 0.41
GRM5 P41594 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
SMO Q99835 1/20 0.40

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
SCHEMBL390540 0.85 OPRD1 (0.57) HRH3KCNH2OPRD1HPGDSMN1; SMN2
SCHEMBL26122945 0.85 HRH3 (0.59) HRH3PANK3CNR2GPR119
SCHEMBL390651 0.84 NOS1 (0.49) KCNH2OPRD1DPP4HPGDSMN1; SMN2
SCHEMBL390619 0.82 HRH3 (0.56) HRH3KCNH2OPRD1HPGDSMN1; SMN2
SCHEMBL390340 0.82 HRH3 (0.54) HRH3KCNH2OPRD1HPGDSMN1; SMN2
SCHEMBL29461454 0.81 CNR2 (0.60) HRH3PANK3CNR2GPR119
SCHEMBL388870 0.81 PANK3 (0.53) HRH3PANK3CNR2DPP4HPGD
SCHEMBL10167993 0.81 HPGD (0.42) HRH3KCNH2OPRD1HPGDSMN1; SMN2
SCHEMBL388016 0.81 HRH3 (0.57) HRH3KCNH2HPGDSMN1; SMN2
SCHEMBL390338 0.80 HRH3 (0.56) HRH3KCNH2OPRD1HPGDSMN1; 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 7 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-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 HRH3 661/4885PANK3 3436/4885CNR2 49/4885

“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.