SCHEMBL5584045

SCHEMBL5584045

Fc1ccc2[nH]cc(CCCCBr)c2c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 0.73
SLC6A4 P31645 5/20 0.65
HTR2A P28223 1/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
HTR1A P08908 2/20 0.63
KMT2A Q03164 1/20 0.63
GPR84 Q9NQS5 1/20 0.63

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
SCHEMBL5583919 0.95 MPO (0.72) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL31620029 0.89 MPO (0.71) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL733767 0.89 MPO (0.71) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL5203031 0.84 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL3705476 0.84 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7846163 0.84 MPO (0.77) MPOSLC6A4HTR2ATRPM8
SCHEMBL4637101 0.84 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL6972588 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL2403830 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7819881 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A

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
CN-103977004-B The medicinal usage of indole piperazine derivative 复旦大学 2016-08-10 CN disclosed
CN-100384849-C Quinoline 3-Aminochroman Derivatives WYETH CORP (US) 2008-04-30 CN disclosed
US-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HATZENBUHLER NICOLE T 2007-08-16 US disclosed
US-7227023-B2 Quinoline 3-amino chroman derivatives WYETH (US) 2007-06-05 US disclosed
CN-1809574-A Quinoline 3-amino chroman derivatives WYETH CORP (US) 2006-07-26 CN disclosed
EP-1638976-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES Wyeth (US) 2006-03-29 EP disclosed
US-20050004157-A1 Quinoline 3-amino chroman derivatives WYETH 2005-01-06 US disclosed
WO-2004099214-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES WYETH (US) 2004-11-18 WO 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-20070191417-A1 QUINOLINE 3-AMINO CHROMAN DERIVATIVES HTR3C, HTR3A, HTR2C MPO 2871/4885SLC6A4 27/4885HTR2A 7/4885
US-20050004157-A1 Quinoline 3-amino chroman derivatives HTR3C, HTR3A, HTR2C MPO 2871/4885SLC6A4 27/4885HTR2A 7/4885

“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.