SCHEMBL5584798

SCHEMBL5584798

Clc1cccc(C2=CC[N]CC2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.37
IDO1 P14902 1/20 0.37
CNR2 P34972 11/20 0.35
CNR1 P21554 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAOA P21397 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
SCN4A P35499 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE3A Q14432 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NUDT1 P36639 4/20 0.34

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
SCHEMBL1363866 0.86 CYP2A6 (0.38) NOTUMIDO1
SCHEMBL10507382 0.72 NOTUM (0.37) NOTUMIDO1CNR2CNR1CYP2D6
SCHEMBL1366838 0.71 NISCH (0.40) NOTUMIDO1
SCHEMBL3777526 0.69 HTR2C (0.55)
SCHEMBL15804320 0.68 ADRB1 (0.40) IDO1CNR2CYP2D6SCN9A
SCHEMBL440943 0.67 TSHR (0.52) NOTUMIDO1CNR2CYP2D6MAOA
SCHEMBL14704893 0.67 HTR2C (0.45) IDO1
SCHEMBL5584141 0.67 AHR (0.45) NOTUM
SCHEMBL3807297 0.66 NOTUM (0.42) NOTUMIDO1CNR2CNR1CYP2D6
SCHEMBL11307092 0.65 CNR2 (0.42) NOTUMIDO1CNR2CNR1CYP2D6

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-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NOTUM 3844/4885IDO1 91/4885CNR2 733/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NOTUM 3844/4885IDO1 91/4885CNR2 733/4885

“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.