SCHEMBL5585280

SCHEMBL5585280

FC(F)(F)c1ccc(N2CCNCC2)nc1OCCOc1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2A P28223 2/20 0.47
ADRB2 P07550 1/20 0.46
SLC6A4 P31645 1/20 0.46
NCF1 P14598 1/20 0.46
EPHX2 P34913 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 4/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
PRMT5 O14744 1/20 0.41
NPC1 O15118 3/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL5585625 0.81 ADRB2 (0.50) HTR2CHTR2AADRB2SLC6A4NCF1
SCHEMBL5586025 0.81 ADRB2 (0.52) HTR2CHTR2AADRB2SLC6A4NCF1
SCHEMBL5781554 0.80 ADRB2 (0.45) HTR2CHTR2AADRB2SLC6A4NCF1
Hydrochloric Acid SCHEMBL6187280 0.80 ADRB2 (0.54) HTR2CHTR2AADRB2SLC6A4NCF1
SCHEMBL5585313 0.79 ADRB2 (0.55) HTR2CHTR2AADRB2SLC6A4NCF1
SCHEMBL4312087 0.78 HTR2C (0.52) HTR2CHTR2ASLC6A4CYP1A2CYP2C9
SCHEMBL5585612 0.78 ADRB2 (0.49) HTR2CHTR2AADRB2SLC6A4EPHX2
SCHEMBL6185077 0.78 ADRB2 (0.51) HTR2CHTR2AADRB2SLC6A4EPHX2
SCHEMBL5585588 0.77 NMT1 (0.46) HTR2CHTR2AADRB2SLC6A4NCF1
SCHEMBL3266586 0.76 HTR2C (0.55) HTR2CHTR2ASLC6A4CYP1A2CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US claimed
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP claimed
JP-2005529926-A 2005-10-06 JP claimed
EP-1506185-A1 NOVEL COMPOUNDS AND THEIR USE Biovitrum AB (SE) 2005-02-16 EP claimed
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US claimed
WO-2003097636-A1 NOVEL COMPOUNDS AND THEIR USE BIOVITRUM AB (SE) 2003-11-27 WO claimed
US-7229997-B2 Compounds and their use BIOVITRUM AB (SE) 2007-06-12 US disclosed
EP-1506185-B1 COMPOUNDS AND THEIR USE AS INHIBITORS OF 5-HT BIOVITRUM AB (SE) 2006-05-24 EP disclosed
EP-1506185-A1 NOVEL COMPOUNDS AND THEIR USE Biovitrum AB (SE) 2005-02-16 EP disclosed
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US disclosed
WO-2003097636-A1 NOVEL COMPOUNDS AND THEIR USE BIOVITRUM AB (SE) 2003-11-27 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 (1 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-20030232814-A1 Novel compounds and their use GPR119, FABP4, MC4R HTR2C 233/4885HTR2A 520/4885ADRB2 63/4885

“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.