SCHEMBL5433100

SCHEMBL5433100

Brc1ccc(C2=CC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
CYP2A6 P11509 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
METAP2 P50579 1/20 0.31
ATM Q13315 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2253193 0.81 MAPK14 (0.38) HTR2CALDH1A1MAPK1SIGMAR1HPGD
SCHEMBL5584387 0.80 CHRNB4 (0.46) ALDH1A1GAAHPGDMETAP2MAPT
SCHEMBL5585114 0.79 NISCH (0.37) ALDH1A1SIGMAR1GAAHPGDMAPT
SCHEMBL240095 0.78 SIGMAR1 (0.42) HTR2CALDH1A1MAPK1SIGMAR1GAA
SCHEMBL2301420 0.75 MMP3 (0.39) ALDH1A1CYP2A6GAA
SCHEMBL5584728 0.75 KIF11 (0.44) TRPV1
SCHEMBL5038451 0.75 MAPT (0.42) ALDH1A1MAPK1GAAHPGDMAPT
SCHEMBL1366657 0.75 NISCH (0.42) ALDH1A1CYP2A6GAAHPGDMETAP2
SCHEMBL5584331 0.75 NISCH (0.42) ALDH1A1MAPK1SIGMAR1HPGDMAPT
SCHEMBL9360528 0.75 KIF11 (0.42) ALDH1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
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 (3 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 9/4885ALDH1A1 443/4885MAPK1 163/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 HTR2C 4439/4885ALDH1A1 1159/4885MAPK1 1030/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885ALDH1A1 443/4885MAPK1 163/4885

“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.