SCHEMBL1332712

SCHEMBL1332712

COc1ccc(CCN2CCN(CCOc3ccc(-n4ccnc4)cc3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.59
CYP2C9 P11712 9/20 0.59
CYP1A2 P05177 7/20 0.59
CYP2C19 P33261 7/20 0.59
CYP3A4 P08684 7/20 0.59
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP19A1 P11511 1/20 0.50
MEN1 O00255 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1333116 0.89 HTR1A (0.49) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL27768291 0.83 ADRA1D (0.59) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1333911 0.83 SIGMAR1 (0.61) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL6575640 0.81 CYP2D6 (0.60) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1333990 0.81 SIGMAR1 (0.57) LMNAMAPTKMT2ASIGMAR1EBP
SCHEMBL10511350 0.80 ABCB1 (0.45) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL1333135 0.80 SIGMAR1 (0.56) MEN1KMT2ASIGMAR1EBPTMEM97
SCHEMBL1334251 0.80 SIGMAR1 (0.56) LMNAMAPTSIGMAR1EBPTMEM97
SCHEMBL1332200 0.79 SIGMAR1 (0.69) SIGMAR1EBPTMEM97ADRA1DADRA1A
Hydrochloric Acid SCHEMBL1333220 0.79 SIGMAR1 (0.55) SIGMAR1EBPTMEM97ADRA1DADRA1A

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 11 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-1978959-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-09 EP disclosed
EP-2340835-A1 Piperidine and piperazine derivatives M's Science Corporation (JP) 2011-07-06 EP disclosed
CN-101448503-B Piperidine and piperazine derivatives MS SCIENCE CORP 2011-04-13 CN 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
CN-101511187-A Piperidine and piperazine derivatives MS SCIENCE CORP (JP) 2009-08-19 CN disclosed
CN-101448503-A Piperidine and piperazine derivatives MS SCIENCE CORP (JP) 2009-06-03 CN 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 CYP2D6 1045/4885CYP2C9 2102/4885CYP1A2 268/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 CYP2D6 1037/4885CYP2C9 2190/4885CYP1A2 483/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 CYP2D6 1057/4885CYP2C9 2291/4885CYP1A2 486/4885

“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.