SCHEMBL136565

SCHEMBL136565

O=CC1(c2ccccc2)CNCCO1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
OPRM1 P35372 1/20 0.35
SLC6A2 P23975 8/20 0.34
SLC6A3 Q01959 8/20 0.34
SLC6A4 P31645 7/20 0.34
SIGMAR1 Q99720 1/20 0.32
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL10940174 0.79 ADRB1 (0.37) CHRNB4CHRNA3
SCHEMBL684448 0.74 MEN1 (0.34) OPRM1SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL977558 0.73 HTR2A (0.47) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
Water SCHEMBL11060484 0.72 MEN1 (0.33) OPRM1SLC6A2SLC6A3CHRNB2CHRNB4
Water SCHEMBL10535963 0.72 MEN1 (0.33) OPRM1SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL1334863 0.70 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL27794398 0.70 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL3458741 0.70 HTR2A (0.48) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL136222 0.70 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL10880855 0.70 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
EP-2406254-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-01-18 EP disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 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 (1 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 HTR2A 109/4885OPRM1 47/4885SLC6A2 264/4885

“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.