SCHEMBL5584800

SCHEMBL5584800

COc1cccc2oc(-c3nccn3C)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.46
MKNK1 Q9BUB5 6/20 0.43
CYP2A6 P11509 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 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
SCHEMBL5584567 0.81 ALDH1A1 (0.44) F2RL3MKNK1LMNAMEN1MAPT
SCHEMBL5585119 0.81 F2RL3 (0.41) F2RL3MEN1MAPTKMT2AKDM4E
Hydrochloric Acid SCHEMBL9294535 0.73 ADRA2A (0.47) F2RL3LMNAMEN1MAPTKMT2A
SCHEMBL5585167 0.73 F2RL3 (0.47) F2RL3MKNK1CYP2A6CA12CA1
SCHEMBL5585103 0.71 F2RL3 (0.46) F2RL3MKNK1CYP2A6CA12CA1
SCHEMBL5584476 0.71 F2RL3 (0.49) F2RL3MKNK1CYP2A6CA12CA1
SCHEMBL9296788 0.70 CYP2A6 (0.56) F2RL3CYP2A6CA12CA1CA2
SCHEMBL5584646 0.69 F2RL3 (0.48) F2RL3MKNK1CYP2A6CA12CA1
SCHEMBL5584735 0.69 F2RL3 (0.56) F2RL3CYP2A6MAPT
SCHEMBL5584562 0.69 F2RL3 (0.50) F2RL3CYP2A6CA12CA1CA2

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 3870/4885MKNK1 2889/4885CYP2A6 956/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885MKNK1 2889/4885CYP2A6 956/4885

“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.