SCHEMBL4733848

SCHEMBL4733848

COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 1.00
HRH3 Q9Y5N1 18/20 1.00
SLC6A2 P23975 1/20 0.80
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58

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
Trifluoroacetic Acid SCHEMBL4920719 0.92 HRH3 (0.85) SLC6A4HRH3SLC6A2KDM4EALDH1A1
SCHEMBL4919259 0.91 HRH3 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4730961 0.89 SLC6A4 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4919766 0.89 SLC6A4 (1.00) SLC6A4HRH3SLC6A2KDM4EALDH1A1
SCHEMBL4786256 0.89 SLC6A4 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4911688 0.89 HRH3 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4918877 0.86 HRH3 (0.75) SLC6A4HRH3SLC6A2KDM4EALDH1A1
SCHEMBL4925747 0.86 HRH3 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4732644 0.85 HRH3 (1.00) SLC6A4HRH3SLC6A2KDM4EALDH1A1
SCHEMBL4913143 0.85 HRH3 (1.00) SLC6A4HRH3SLC6A2

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
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US claimed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 WO claimed
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 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-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS HRH3, SLC6A4, HNMT SLC6A4 2/4885HRH3 1/4885SLC6A2 9/4885

“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.