SCHEMBL4733229

SCHEMBL4733229

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccc(OCCCN2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.75
HRH3 Q9Y5N1 14/20 0.75
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 4/20 0.59
SLC6A2 P23975 3/20 0.59
NPC1 O15118 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C19 P33261 2/20 0.59
MTOR P42345 2/20 0.59
RAB9A P51151 2/20 0.59
CYP3A4 P08684 2/20 0.59
HTR2C P28335 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59

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
Fumaric Acid SCHEMBL4922577 0.92 SLC6A4 (0.65) SLC6A4HRH3MEN1KMT2ALMNA
Maleic Acid SCHEMBL4922562 0.92 SLC6A4 (0.65) SLC6A4HRH3MEN1KMT2ALMNA
SCHEMBL4733850 0.88 HRH3 (0.74) SLC6A4HRH3SLC6A2
SCHEMBL4921786 0.87 HRH3 (0.76) SLC6A4HRH3SLC6A2CACNA1HCACNA1B
SCHEMBL4734353 0.87 SLC6A4 (0.76) SLC6A4HRH3SLC6A2SLC6A3KCNK2
SCHEMBL4916367 0.86 SLC6A4 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4922124 0.86 SLC6A4 (1.00) SLC6A4HRH3SLC6A2
SCHEMBL4910728 0.83 HRH3 (0.72) SLC6A4HRH3SLC6A2
SCHEMBL4736373 0.82 HRH3 (0.75) SLC6A4HRH3MEN1KMT2ASLC6A2
SCHEMBL4922567 0.79 HRH3 (0.75) 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 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 1/4885MEN1 2363/4885

“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.