SCHEMBL4336868

SCHEMBL4336868

CC1CN(C(=O)Oc2ccccc2)CCN1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
REN P00797 1/20 0.51
HRH4 Q9H3N8 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
MGLL Q99685 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL16825931 0.85 REN (0.53) GAARENNPC1RAB9AKMT2A
SCHEMBL31112011 0.84 MLNR (0.50) GAARENHRH4MGLLSMN1; SMN2
SCHEMBL2583030 0.81 GAA (0.61) GAANPC1RAB9AKMT2AMEN1
SCHEMBL4629620 0.81 HRH4 (0.40) GAARENHRH4ALDH1A1TP53
SCHEMBL17477186 0.80 SCN9A (0.42) GAARENHRH4ALDH1A1TP53
SCHEMBL13490134 0.79 HTR2C (0.58) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL2579734 0.79 HTR2C (0.58) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL2787453 0.79 HTR2C (0.58) HRH4NPC1RAB9AKMT2AMEN1
SCHEMBL28137106 0.79 GAA (0.82) GAANPC1RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL31066472 0.78 HTR2C (0.56) HRH4NPC1RAB9AKMT2AMEN1

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
US-7569690-B2 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2009-08-04 US disclosed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN disclosed
CN-100360510-C Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2008-01-09 CN disclosed
US-20060161003-A1 Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINE CHEMICALS CO., LTD. (JP) 2006-07-20 US disclosed
CN-1681797-A Process for producing oxycarbonyl-substituted piperazine derivative TORAY FINECHEMICALS CO LTD (JP) 2005-10-12 CN 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 GAA 2611/4885REN 2165/4885HRH4 2943/4885

“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.