SCHEMBL6910079

SCHEMBL6910079

COc1cc(OC)nc(C(c2ccccc2)N2CCNCC2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
OPRD1 P41143 13/20 0.51
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.45
HTR7 P34969 1/20 0.45
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 1/20 0.43
TACR1 P25103 1/20 0.42

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
SCHEMBL2201461 0.85 OPRM1 (0.41) MEN1KMT2AOPRD1SLC6A3KCNH2
SCHEMBL1741596 0.76 MEN1 (0.72) MEN1KMT2AOPRD1CYP2D6USP2
SCHEMBL219432 0.75 MEN1 (1.00) MEN1KMT2AOPRD1SLC6A2SLC6A4
SCHEMBL2794662 0.75 MEN1 (1.00) MEN1KMT2AOPRD1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7006476 0.74 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Fluoride SCHEMBL27959930 0.74 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
SCHEMBL27485345 0.74 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL11456225 0.74 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Piperazine SCHEMBL28229145 0.74 MEN1 (0.96) MEN1KMT2AOPRD1SLC6A2SLC6A4
Propane SCHEMBL27542064 0.71 MEN1 (0.82) MEN1KMT2AOPRD1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 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 (2 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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF MEN1 3736/4885KMT2A 2094/4885OPRD1 1717/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 MEN1 3768/4885KMT2A 2315/4885OPRD1 4569/4885

“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.