SCHEMBL5584741

SCHEMBL5584741

COc1nnc(-c2cc3c(O)cccc3o2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.46
NOTUM Q6P988 1/20 0.46
HPGD P15428 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CREBBP Q92793 1/20 0.37
LCK P06239 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
SCHEMBL5584731 0.86 F2RL3 (0.40) F2RL3NOTUMHPGDRAB9AKDM4E
SCHEMBL5584685 0.85 F2RL3 (0.42) F2RL3NOTUMHPGDRAB9AKDM4E
SCHEMBL428470 0.81 F2RL3 (0.41) F2RL3HPGDKDM4EMEN1MAPT
SCHEMBL5584125 0.78 F2RL3 (0.52) F2RL3NOTUMHPGDRAB9AMEN1
SCHEMBL5584722 0.78 F2RL3 (0.46) F2RL3NOTUMHPGDRAB9AKDM4E
SCHEMBL5585409 0.78 F2RL3 (0.39) F2RL3HPGDKDM4EMEN1MAPT
SCHEMBL5584570 0.76 CA1 (0.49) F2RL3HPGDRAB9AKDM4EMEN1
SCHEMBL5585155 0.76 ALDH1A1 (0.41) F2RL3NOTUMCYP3A4SMN1; SMN2TP53
SCHEMBL5584853 0.75 AR (0.39) F2RL3HPGDKDM4EMEN1MAPT
SCHEMBL30176873 0.72 MAPT (0.50) F2RL3HPGDRAB9AKDM4EMEN1

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 3870/4885NOTUM 3844/4885HPGD 2703/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885NOTUM 3844/4885HPGD 2703/4885

“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.