SCHEMBL1332744

SCHEMBL1332744

c1ccc(OCCN2CCN(CCCc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
KCNH2 Q12809 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ADRA1D P25100 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA1B P35368 3/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 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
SCHEMBL1332649 0.93 ADRA1D (0.60) KMT2AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1333894 0.92 ADRA1D (0.59) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1333961 0.88 KCNH2 (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2572413 0.84 ADRA1D (0.54) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1299628 0.84 SIGMAR1 (0.61) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL1299135 0.83 SIGMAR1 (0.60) ADRA1DADRA1AADRA1B
SCHEMBL5430198 0.81 MAPT (0.67) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7032962 0.81 MAOB (0.60) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2157353 0.81 ADRA1D (0.55) KMT2AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2158453 0.80 MAOB (0.59) KMT2AMEN1CYP1A2CYP3A4CYP2D6

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 KMT2A 1809/4885MEN1 2035/4885CYP1A2 268/4885
US-20110281890-A1 Piperidine and piperazine derivatives SIGMAR1, OPRM1, OPRD1 KMT2A 1941/4885MEN1 2506/4885CYP1A2 483/4885
US-20100256162-A1 Piperazine and Piperidine Derivatives SIGMAR1, OPRM1, OPRD1 KMT2A 1942/4885MEN1 2527/4885CYP1A2 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.