SCHEMBL4336812

SCHEMBL4336812

CCC1NCCN(C(=O)OCc2ccccc2)C1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.47
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
PREP P48147 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL1190724 0.79 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1189368 0.79 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12125865 0.79 SMN1; SMN2 (0.51) HTR2CTMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL1190728 0.79 HTR2C (0.53) HTR2CSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4326538 0.78 TMEM97 (0.45) HTR2CTMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL28556404 0.77 HTR2C (0.54) HTR2CTMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL28503174 0.77 HTR2C (0.54) HTR2CTMEM97SIGMAR1SMN1; SMN2NPC1
SCHEMBL4387733 0.76 KMT2A (0.55) HTR2CSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12189896 0.76 KMT2A (0.55) HTR2CSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL28899278 0.76 KMT2A (0.55) HTR2CSMN1; SMN2NPC1RAB9AKMT2A

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 1230/4885TMEM97 1857/4885SIGMAR1 537/4885

“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.