SCHEMBL1332691

SCHEMBL1332691

COc1ccc(CCN2CCN(CCOc3ccc(C(F)(F)F)cc3)CC2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
EBP Q15125 2/20 0.53
TMEM97 Q5BJF2 1/20 0.53
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
KCNH2 Q12809 1/20 0.48
MCHR1 Q99705 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL1332888 0.90 KDM4E (0.59) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL1333208 0.89 SIGMAR1 (0.53) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL1332768 0.88 HTR1A (0.55) KCNH2DRD2
SCHEMBL1333911 0.88 SIGMAR1 (0.61) LTA4HSIGMAR1EBPTMEM97ADRA1D
SCHEMBL1334251 0.87 SIGMAR1 (0.56) LTA4HSIGMAR1EBPTMEM97ADRA1D
SCHEMBL1333990 0.86 SIGMAR1 (0.57) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL1333135 0.85 SIGMAR1 (0.56) LTA4HSIGMAR1EBPTMEM97ADRA1D
SCHEMBL1332200 0.84 SIGMAR1 (0.69) LTA4HSIGMAR1EBPTMEM97ADRA1D
SCHEMBL1332705 0.84 SIGMAR1 (0.55) SIGMAR1EBPTMEM97ADRA1DADRA1A
Hydrochloric Acid SCHEMBL1333220 0.84 SIGMAR1 (0.55) LTA4HSIGMAR1EBPTMEM97ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511187-B Piperidine and piperazine derivatives MS SCIENCE CORP 2012-07-04 CN disclosed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 US disclosed
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
EP-1976525-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2010-11-03 EP disclosed
US-20100256162-A1 Piperazine and Piperidine Derivatives AGY THERAPEUTICS, INC. (US) 2010-10-07 US disclosed
US-20100137334-A1 Piperidine and Piperazine Derivatives SUN CONNIE L 2010-06-03 US 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 (3 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-20100137334-A1 Piperidine and Piperazine Derivatives SIGMAR1, OPRM1, OPRD1 LTA4H 2934/4885SIGMAR1 1/4885EBP 1227/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 LTA4H 3597/4885SIGMAR1 1/4885EBP 1047/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 LTA4H 3616/4885SIGMAR1 1/4885EBP 1097/4885

“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.