SCHEMBL388707

SCHEMBL388707

CC(C)(C)COC(=O)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 7/20 0.45
MEN1 O00255 5/20 0.45
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.41

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
SCHEMBL29265204 0.85 ALDH1A1 (0.63) MAPTALDH1A1LMNAKMT2A
SCHEMBL390651 0.83 NOS1 (0.49) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL390540 0.82 OPRD1 (0.57) SMN1; SMN2HPGD
SCHEMBL14340959 0.81 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL390340 0.81 HRH3 (0.54) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL390619 0.81 HRH3 (0.56) SMN1; SMN2HPGD
SCHEMBL388016 0.80 HRH3 (0.57) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL10167993 0.80 HPGD (0.42) SMN1; SMN2HPGD
SCHEMBL14340961 0.79 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1HPGD
SCHEMBL389756 0.79 HRH3 (0.56) SMN1; SMN2HPGD

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 MAPT 3502/4885ALDH1A1 819/4885SMN1; 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.