SCHEMBL10048248

SCHEMBL10048248

CN(C)CC(c1ccc(Oc2ccccc2)cc1)C1(O)CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.74
SLC6A4 P31645 10/20 0.74
SLC6A3 Q01959 7/20 0.74
LMNA P02545 1/20 0.74
CNR1 P21554 1/20 0.74
HTR2A P28223 1/20 0.74
HRH1 P35367 1/20 0.74
HRH3 Q9Y5N1 1/20 0.74
OPRM1 P35372 1/20 0.67

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
SCHEMBL4774484 0.87 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL14046643 0.87 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL23079054 0.86 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL4309058 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL1070272 0.85 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3LMNACNR1
Venlafaxine SCHEMBL1560692 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3LMNACNR1
(S)-Venlafaxine SCHEMBL3644633 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL10616028 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3LMNACNR1
SCHEMBL10614031 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3LMNACNR1
Venlafaxine SCHEMBL27838459 0.85 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933123-B2 Polymorphic forms of O-desmethyl-venlafaxine succinate CADILA HEALTHCARE LIMITED (IN) 2015-01-13 US disclosed
US-8933123-B2 Polymorphic forms of O-desmethyl-venlafaxine succinate CADILA HEALTHCARE LIMITED (IN) 2015-01-13 US disclosed
US-20120264828-A1 POLYMORPHIC FORMS OF O-DESMETHYL-VENLAFAXINE SUCCINATE CADILA HEALTHCARE LIMITED 2012-10-18 US disclosed
US-20120264828-A1 POLYMORPHIC FORMS OF O-DESMETHYL-VENLAFAXINE SUCCINATE CADILA HEALTHCARE LIMITED 2012-10-18 US disclosed
WO-2012046250-A2 POLYMORPHIC FORMS OF O-DESMETHYL-VENLAFAXINE SUCCINATE FIELD OF THE INVENTION CADILA HEALTHCARE LIMITED (IN) 2012-04-12 WO disclosed
US-20100121108-A1 PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF MEDICHEM, S.A. (ES) 2010-05-13 US disclosed
US-20100121108-A1 PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF MEDICHEM, S.A. (ES) 2010-05-13 US disclosed
WO-2008015584-A2 IMPROVED PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF MEDICHEM, S.A. (US) 2008-02-07 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-20120264828-A1 POLYMORPHIC FORMS OF O-DESMETHYL-VENLAFAXINE SUCCINATE COMT, CYP2D6, SLC6A4 SLC6A2 4/4885SLC6A4 3/4885SLC6A3 6/4885
US-20100121108-A1 PROCESS FOR SYNTHESIZING DESVENLAFAXINE FREE BASE AND SALTS OR SOLVATES THEREOF SLC6A4, VGF, SLC6A2 SLC6A2 3/4885SLC6A4 1/4885SLC6A3 5/4885

“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.