SCHEMBL5584979

SCHEMBL5584979

Cc1cc(C2CC[N]CC2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.50
SLC6A3 Q01959 14/20 0.50
KCNH2 Q12809 7/20 0.50
SLC6A4 P31645 13/20 0.48
CYP2D6 P10635 6/20 0.48
CHRNA1 P02708 4/20 0.39
CHRNG P07510 4/20 0.39
ITGA5 P08648 4/20 0.39
CHRNB1 P11230 4/20 0.39
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRND Q07001 4/20 0.39
SMURF2 Q9HAU4 1/20 0.38
SMURF1 Q9HCE7 1/20 0.38
TRPM4 Q8TD43 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35

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
SCHEMBL9912504 0.87 SLC6A2 (0.57) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL5585043 0.86 SLC6A2 (0.50) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL5547821 0.83 SLC6A2 (0.50) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL2302109 0.83 HTR2C (0.40) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL5584982 0.79 SLC6A2 (0.58) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL5585080 0.79 SLC6A2 (0.38) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6
SCHEMBL5584959 0.78 QDPR (0.43)
SCHEMBL5584588 0.76 NR3C1 (0.43)
SCHEMBL1367052 0.76 USP30 (0.43)
SCHEMBL5585168 0.75 CYP2D6 (0.49) SLC6A2SLC6A3KCNH2SLC6A4CYP2D6

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 SLC6A2 21/4885SLC6A3 23/4885KCNH2 251/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A2 21/4885SLC6A3 23/4885KCNH2 251/4885

“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.