SCHEMBL1334005

SCHEMBL1334005

COc1ccc(CCCN2CCN(CCOc3ccc(F)cc3)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.60
SIGMAR1 Q99720 2/20 0.60
TMEM97 Q5BJF2 1/20 0.60
LMNA P02545 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.55
NLRP1 Q9C000 1/20 0.55
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
EBPL Q9BY08 1/20 0.53
ABCB1 P08183 1/20 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
SCHEMBL7030443 0.97 LMNA (0.56) EBPSIGMAR1TMEM97LMNAALDH1A1
Hydrochloric Acid SCHEMBL2158145 0.95 LMNA (0.58) EBPSIGMAR1TMEM97LMNAALDH1A1
SCHEMBL1334251 0.93 SIGMAR1 (0.56) EBPSIGMAR1TMEM97LMNAALDH1A1
SCHEMBL1334383 0.88 LMNA (0.55) SIGMAR1TMEM97LMNAALDH1A1SMN1; SMN2
SCHEMBL1333152 0.88 SIGMAR1 (0.73) EBPSIGMAR1TMEM97EBPLABCB1
Hydrochloric Acid SCHEMBL2157430 0.87 LMNA (0.56) SIGMAR1TMEM97LMNAALDH1A1SMN1; SMN2
SCHEMBL7032807 0.87 DRD3 (0.53) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL1334322 0.87 SIGMAR1 (0.61) SIGMAR1LMNAALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL2158183 0.86 DRD3 (0.52) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL1333911 0.84 SIGMAR1 (0.61) EBPSIGMAR1TMEM97

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
US-20110281890-A1 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION 2011-11-17 US claimed
EP-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP claimed
US-8183374-B2 Piperidine and piperazine derivatives M'S SCIENCE CORPORATION (JP) 2012-05-22 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 EBP 1227/4885SIGMAR1 1/4885TMEM97 8/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 EBP 1047/4885SIGMAR1 1/4885TMEM97 7/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 EBP 1097/4885SIGMAR1 1/4885TMEM97 7/4885

“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.