SCHEMBL5584885

SCHEMBL5584885

Cc1nc(-c2cc3c(O)cccc3o2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.50
MAPT P10636 5/20 0.47
RECQL P46063 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47
PDE4D Q08499 1/20 0.44
MIF P14174 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TSHR P16473 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ECE1 P42892 1/20 0.40
CES2 O00748 1/20 0.39
ADORA2A P29274 1/20 0.39
STAT1 P42224 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
SCHEMBL5584735 0.81 F2RL3 (0.56) F2RL3MAPTRECQLGAAGFER
SCHEMBL12647915 0.77 NPC1 (0.69) F2RL3MAPTKDM4EHPGDALDH1A1
SCHEMBL5584717 0.75 ALDH1A1 (0.44) F2RL3ALDH1A1TSHRSMN1; SMN2
SCHEMBL15356524 0.75 F2RL3 (0.74) F2RL3
SCHEMBL5584732 0.74 F2RL3 (0.45) F2RL3MAPTRECQLKDM4EGAA
SCHEMBL5584930 0.74 F2RL3 (0.44) F2RL3MAPTRECQLKDM4EHPGD
SCHEMBL5584779 0.73 F2RL3 (0.49) F2RL3MAPTRECQLKDM4EHPGD
SCHEMBL30176877 0.72 ATM (0.47) F2RL3MAPTRECQLKDM4EHPGD
SCHEMBL28382544 0.72 ATM (0.47) F2RL3MAPTRECQLKDM4EHPGD
SCHEMBL5584352 0.71 F2RL3 (0.42) F2RL3MAPTRECQLKDM4EHPGD

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 F2RL3 3870/4885MAPT 949/4885RECQL 2332/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885MAPT 949/4885RECQL 2332/4885

“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.