SCHEMBL4336814

SCHEMBL4336814

CC1NCCN(C(=O)OCc2ccccc2)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 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
SCHEMBL14695121 0.81 GAA (0.49) SMN1; SMN2NPC1RAB9ACYP2C19NPSR1
SCHEMBL26093211 0.78 HTR2C (0.42) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL15000800 0.77 HTR2C (0.50) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4388005 0.76 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13490134 0.75 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2579734 0.75 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2787453 0.75 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10797345 0.75 ALDH1A1 (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1532832 0.75 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1821598 0.74 SMN1; SMN2 (0.65) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
EP-1548010-A1 PROCESS FOR PRODUCING OXYCARBONYL-SUBSTITUTED PIPERAZINE DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2005-06-29 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-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative DHPS, AQP4, OGFOD1 HTR2C 1230/4885SMN1; SMN2 3473/4885NPC1 3139/4885

“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.