SCHEMBL4733883

SCHEMBL4733883

CN(C)CCC(O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
DRD1 P21728 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
HRH1 P35367 3/20 0.49
KCNH2 Q12809 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HTR2A P28223 2/20 0.49
LMNA P02545 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
HTR2C P28335 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
ADRA2B P18089 1/20 0.49

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
SCHEMBL11386313 0.90 CHRM2 (0.43) CHRM2CHRM1DRD1SLC6A2SLC6A4
SCHEMBL5463519 0.82 UTS2R (0.46) HRH1HTR2AUTS2R
SCHEMBL19399119 0.82 CYP1A2 (0.43) PMP22PYCR1UTS2RCYP1A2MEN1
SCHEMBL2368070 0.81 IGF1R (0.43) HTR2ACYP1A2MEN1KMT2AALOX5
SCHEMBL1986354 0.81 IGF1R (0.43) HTR2ACYP1A2MEN1KMT2AALOX5
SCHEMBL241160 0.81 IGF1R (0.43) HTR2ACYP1A2MEN1KMT2AALOX5
SCHEMBL4731821 0.81 HTR2A (0.42) HRH1HTR2A
SCHEMBL188905 0.81 HTR2A (0.42) HRH1HTR2ANFKB1HIF1ATAAR1
SCHEMBL6829520 0.81 AOC3 (0.58) SLC6A2SLC6A4SLC6A3HRH1HTR2A
SCHEMBL31572076 0.81 AOC3 (0.58) SLC6A2SLC6A4SLC6A3HRH1HTR2A

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 2 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 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 CHRM2 360/4885CHRM1 501/4885DRD1 533/4885

“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.