SCHEMBL4732396

SCHEMBL4732396

CN(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCN(C3CCCC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.58
HRH3 Q9Y5N1 11/20 0.58
CCR3 P51677 4/20 0.45
SLC6A9 P48067 4/20 0.44
SLC6A2 P23975 1/20 0.43
HTR1A P08908 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
SCHEMBL4919787 0.99 SLC6A4 (0.59) SLC6A4HRH3CCR3SLC6A9SLC6A2
Trifluoroacetic Acid SCHEMBL4911971 0.94 SLC6A4 (0.52) SLC6A4HRH3SLC6A9HTR1A
SCHEMBL4736298 0.87 SLC6A4 (0.55) SLC6A4HRH3SLC6A2
SCHEMBL4784335 0.85 SLC6A4 (0.69) SLC6A4HRH3SLC6A9HTR1A
SCHEMBL4734561 0.83 SLC6A4 (0.67) SLC6A4HRH3SLC6A2HTR1A
SCHEMBL4732481 0.83 HRH3 (0.57) SLC6A4HRH3SLC6A9HTR1A
SCHEMBL4921696 0.83 SLC6A4 (0.75) SLC6A4HRH3SLC6A9SLC6A2
SCHEMBL4921656 0.82 SLC6A4 (0.73) SLC6A4HRH3CCR3SLC6A9SLC6A2
Trifluoroacetic Acid SCHEMBL4925697 0.80 SLC6A4 (0.70) SLC6A4HRH3SLC6A9SLC6A2
Trifluoroacetic Acid SCHEMBL4924285 0.79 SLC6A4 (0.69) SLC6A4HRH3SLC6A9HTR1A

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 6 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
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 1/4885CCR3 1480/4885

“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.