SCHEMBL2073831

SCHEMBL2073831

CNCCC(c1ccccc1)c1cc2cc(OC)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ SLC6A4 P31645 4/20 0.46
▸ SLC6A2 P23975 3/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ NOS2 P35228 2/20 0.46
▸ APP P05067 1/20 0.45
▸ TAS1R3 Q7RTX0 5/20 0.45
▸ TAS1R1 Q7RTX1 5/20 0.45
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOB P27338 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
SCHEMBL2072279 0.91 HTR2A (0.50) HTR2AHRH1GPR55RAB9ASLC6A4
SCHEMBL2074390 0.83 HTR2A (0.59) HTR2AHRH1SLC6A4SLC6A2CYP2D6
SCHEMBL2073834 0.75 SLC6A2 (0.50) HTR2AHRH1GPR55SLC6A4SLC6A2
SCHEMBL2071357 0.75 SLC6A4 (0.50) HTR2AHRH1RAB9ASLC6A4SLC6A2
SCHEMBL2072549 0.74 SLC6A4 (0.48) HTR2AHRH1RAB9ASLC6A4SLC6A2
SCHEMBL5187321 0.74 RAB9A (0.46) GPR55RAB9AAPPTAS1R3TAS1R1
SCHEMBL2073550 0.72 SLC6A4 (0.48) HTR2AHRH1RAB9ASLC6A4SLC6A2
SCHEMBL5507359 0.71 GPR55 (0.55) GPR55RAB9ATAS1R3TAS1R1MAOB
SCHEMBL9593824 0.71 AKR1C3 (0.62) GPR55TAS1R3TAS1R1MAOB
Methylamine SCHEMBL5187324 0.71 RAB9A (0.45) GPR55RAB9AAPPTAS1R3TAS1R1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
US-7863305-B2 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC (US) 2011-01-04 — — US disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 — — EP disclosed
EP-1756054-B1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR HOFFMANN LA ROCHE (CH) 2010-03-31 — — EP disclosed
EP-1756054-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 — — EP disclosed
US-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors ROCHE PALO ALTO LLC 2006-02-02 — — US disclosed
WO-2005118539-A1 3-AMINO-1-ARYLPROPYL INDOLES AS MONOAMINE REUPTAKE INHIBITOR F.HOFFMANN-LA ROCHE AG (CH) 2005-12-15 — — 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-20060025467-A1 3-amino-1-arylpropyl indoles as monoamine reuptake inhibitors TPH1, HTR1A, HTR3A HTR2A 17/4885HRH1 226/4885GPR55 823/4885

“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.

Send feedback