SCHEMBL4179954

SCHEMBL4179954

CC1CN(C(=O)OCc2ccccc2)CC(C)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46

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
SCHEMBL13384650 1.00 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL19598727 1.00 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13489645 1.00 HTR2C (0.58) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3720336 0.92 HTR2C (0.54) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL31537934 0.87 TSHR (0.52) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL15218647 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14372548 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16472423 0.86 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13156576 0.85 SMN1; SMN2 (0.58) HTR2CSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18912571 0.85 SMN1; SMN2 (0.60) HTR2CSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
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 (2 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK HTR2C 4583/4885SMN1; SMN2 612/4885NPC1 1909/4885
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.