SCHEMBL3116016

SCHEMBL3116016

Fc1cccc(C2=CC[N]CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
NISCH Q9Y2I1 1/20 0.44
TAAR1 Q96RJ0 2/20 0.39
ESR2 Q92731 1/20 0.39
HPGDS O60760 2/20 0.38
IDO1 P14902 2/20 0.38
NOTUM Q6P988 2/20 0.38
HTR7 P34969 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL3540282 0.83 NISCH (0.38) CHRNB4CHRNA3NISCHNOTUM
SCHEMBL3121636 0.81 HTR2C (0.53) CHRNB4CHRNA3IDO1NOTUMHTR7
SCHEMBL1365489 0.81 CHRNB4 (0.46) CHRNB4CHRNA3NISCHIDO1HTR7
SCHEMBL5584387 0.81 CHRNB4 (0.46) CHRNB4CHRNA3IDO1KDM4EMEN1
SCHEMBL240095 0.81 SIGMAR1 (0.42) CHRNB4CHRNA3NISCHNOTUMKDM4E
SCHEMBL3120305 0.80 HTR2C (0.56) IDO1NOTUM
SCHEMBL2253193 0.79 MAPK14 (0.38) NOTUMHTR7KDM4EMEN1MAPT
SCHEMBL9377901 0.79 CHRNB4 (0.46) CHRNB4CHRNA3NISCHTAAR1ESR2
SCHEMBL3540753 0.77 NISCH (0.47) NISCHNOTUMHTR7KDM4EMEN1
SCHEMBL3458441 0.77 ATM (0.40) KDM4EMAPTCYP3A4

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
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 CHRNB4 302/4885CHRNA3 152/4885NISCH 3392/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CHRNB4 302/4885CHRNA3 152/4885NISCH 3392/4885

“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.