SCHEMBL4736708

SCHEMBL4736708

CC(C)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.65
MAPK1 P28482 2/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HRH3 Q9Y5N1 8/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.56
DRD3 P35462 1/20 0.56
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NAAA Q02083 1/20 0.55
MAOB P27338 1/20 0.55

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
SCHEMBL7519290 0.85 SLC6A7 (0.63) SLC6A7MAPK1PKMLMNAMAPT
SCHEMBL1977856 0.84 SLC6A7 (0.70) SLC6A7MAPK1PKMLMNAMAPT
SCHEMBL15420889 0.83 NPC1 (0.76) SLC6A7LMNAMAPTHTTHRH3
SCHEMBL27965228 0.82 SMN1; SMN2 (0.75) SLC6A7LMNAMAPTHTTALDH1A1
SCHEMBL12777929 0.81 MAOB (0.68) HRH3ALDH1A1KMT2AHPGDMAOB
SCHEMBL5851806 0.81 SLC6A7 (0.66) SLC6A7MAPK1PKMLMNAMAPT
SCHEMBL27965288 0.81 KCNA5 (0.69) SLC6A7MAPK1PKMLMNAMAPT
SCHEMBL13636470 0.80 HRH3 (0.62) LMNAHTTHRH3HPGDSMN1; SMN2
Ethylene SCHEMBL8377795 0.79 SLC6A7 (0.63) SLC6A7MAPK1PKMLMNAMAPT
Hydrochloric Acid SCHEMBL1177428 0.79 HRH3 (0.61) LMNAHTTHRH3HPGDSMN1; SMN2

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 SLC6A7 19/4885MAPK1 3261/4885PKM 1168/4885

“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.