SCHEMBL5584686

SCHEMBL5584686

FC(F)(F)c1ccc(C2CCNCC2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.56
QDPR P09417 1/20 0.47
HTR2A P28223 1/20 0.45
KCNH2 Q12809 2/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR3A P46098 1/20 0.41
PTPN5 P54829 1/20 0.40
SOS1 Q07889 1/20 0.39

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
SCHEMBL31342813 0.87 HTR2C (0.56) HTR2CQDPRHTR2AKCNH2CYP2D6
SCHEMBL2710169 0.87 HTR2C (0.56) HTR2CQDPRHTR2AKCNH2CYP2D6
SCHEMBL3719147 0.85 HTR2C (0.61) HTR2CQDPRHTR2ASLC18A3SIGMAR1
SCHEMBL5537443 0.82 HTR2C (0.57) HTR2CQDPRHTR2ASLC6A2SLC6A4
SCHEMBL29470030 0.81 MGLL (0.50) HTR2CHTR2AKCNH2CYP2D6SLC6A2
SCHEMBL5584684 0.81 NOTUM (0.40) HTR2CHTR2AKCNH2CYP2D6SLC6A2
Hydrochloric Acid SCHEMBL4893701 0.81 HTR2C (0.58) HTR2CQDPRHTR2ASLC6A2SLC6A4
SCHEMBL30228395 0.81 HTR2C (0.56) HTR2CQDPRHTR2ASLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL4890973 0.79 HTR2C (0.57) HTR2CQDPRHTR2ASLC18A3SIGMAR1
SCHEMBL2711302 0.79 SLC6A2 (0.64) HTR2CQDPRKCNH2CYP2D6SLC6A2

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 HTR2C 9/4885QDPR 214/4885HTR2A 11/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885QDPR 214/4885HTR2A 11/4885

“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.