SCHEMBL1138089

SCHEMBL1138089

COC(=O)/C=C/CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 1/20 0.61
OPRD1 P41143 2/20 0.57
HRH1 P35367 5/20 0.55
DRD3 P35462 5/20 0.55
KCNH2 Q12809 4/20 0.55
HTR2A P28223 3/20 0.55
HTR2B P41595 3/20 0.55
SLC6A2 P23975 3/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A3 Q01959 3/20 0.55
HRH2 P25021 2/20 0.55
USP2 O75604 2/20 0.55
TEK Q02763 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SLC6A9 P48067 1/20 0.54
CACNA2D1 P54289 4/20 0.54
CACNA1B Q00975 4/20 0.54
CACNB1 Q02641 4/20 0.54
CACNA1C Q13936 4/20 0.54
DRD2 P14416 3/20 0.52

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
SCHEMBL1138094 1.00 GPX4 (0.61) GPX4OPRD1HRH1DRD3KCNH2
SCHEMBL1137999 0.84 MEN1 (0.56) GPX4OPRD1HRH1DRD3KCNH2
SCHEMBL1137996 0.84 MEN1 (0.56) GPX4OPRD1HRH1DRD3KCNH2
SCHEMBL1138154 0.82 HRH1 (0.56) OPRD1HRH1DRD3KCNH2HTR2A
SCHEMBL1138150 0.82 HRH1 (0.56) OPRD1HRH1DRD3KCNH2HTR2A
Hydrochloric Acid SCHEMBL1138329 0.81 HRH1 (0.57) OPRD1HRH1DRD3KCNH2HTR2A
SCHEMBL27673545 0.81 KCNH2 (0.61) OPRD1HRH1DRD3KCNH2HTR2A
SCHEMBL27624987 0.81 KCNH2 (0.61) OPRD1HRH1DRD3KCNH2HTR2A
SCHEMBL6554453 0.81 KCNH2 (0.61) OPRD1HRH1DRD3KCNH2HTR2A
SCHEMBL1138175 0.80 DRD3 (0.59) OPRD1HRH1DRD3KCNH2HTR2A

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-1487810-B9 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2011-02-23 EP disclosed
EP-1487810-B1 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMA ADVANCED RES CO LTD (IN) 2010-02-17 EP disclosed
US-7297697-B2 with alkenyl moiety substituted at the 1-position of the piperazine unit; useful in the treatment of histamine mediated diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2007-11-20 US disclosed
US-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-05-19 US disclosed
EP-1487810-A2 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES Sun Pharmaceuticals Industries Ltd. (IN) 2004-12-22 EP disclosed
WO-2003079970-A2 4-(DIARYLMETHYL)-1-PIPERAZINYL DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-10-02 WO 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-20050107393-A1 4-(diarylmethyl)-1-piperazinyl derivatives NPY2R, NPY1R, CBR3 GPX4 3064/4885OPRD1 24/4885HRH1 111/4885

“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.