SCHEMBL5584253

SCHEMBL5584253

CCc1cnc(-c2cc3c(O)cccc3o2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.38
CES2 O00748 1/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE4D Q08499 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL5584314 0.82 F2RL3 (0.40) F2RL3CES2MEN1KMT2ACYP3A4
SCHEMBL5584393 0.82 MKNK1 (0.43) F2RL3MKNK1
SCHEMBL5584518 0.78 ALDH1A1 (0.41) F2RL3CYP3A4TP53TDP1MKNK1
SCHEMBL5585409 0.77 F2RL3 (0.39) F2RL3CES2MEN1KMT2ACYP3A4
SCHEMBL2268224 0.76 SLC22A12 (0.47) CES2MAOASLC22A12
SCHEMBL5584685 0.74 F2RL3 (0.42) F2RL3CES2MEN1KMT2ACYP3A4
SCHEMBL428470 0.71 F2RL3 (0.41) F2RL3CES2MEN1KMT2ACYP3A4
SCHEMBL20153640 0.71 AHR (0.41) MEN1KMT2AMAPTKDM4ECYP2C9
SCHEMBL5584352 0.69 F2RL3 (0.42) F2RL3CES2MEN1KMT2ACYP3A4
SCHEMBL5585309 0.69 F2RL3 (0.45) F2RL3CES2MEN1KMT2ACYP3A4

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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US 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 F2RL3 3870/4885CES2 2654/4885MEN1 2975/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885CES2 2654/4885MEN1 2975/4885

“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.