SCHEMBL5585592

SCHEMBL5585592

FC(F)(F)c1ccc(N2CCNCC2)nc1OCc1ccccc1COc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.58
SLC6A2 P23975 6/20 0.53
SLC6A4 P31645 5/20 0.53
SLC6A3 Q01959 4/20 0.53
HTR1A P08908 3/20 0.53
ADRB2 P07550 1/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 1/20 0.47
HTR2C P28335 4/20 0.43
HTR2A P28223 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR7 P34969 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL5586025 0.88 ADRB2 (0.52) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL6187280 0.87 ADRB2 (0.54) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5585610 0.86 ADRB2 (0.53) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5585603 0.84 HTR1A (0.48) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
Acetic Acid SCHEMBL6183443 0.80 PRMT5 (0.43) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5585730 0.80 ADRB2 (0.51) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6185077 0.80 ADRB2 (0.51) PRMT5SLC6A4HTR1AADRB2CYP1A2
SCHEMBL5585612 0.78 ADRB2 (0.49) PRMT5SLC6A2SLC6A4HTR1AADRB2
SCHEMBL5585242 0.78 ADRB2 (0.49) PRMT5SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL5585578 0.78 ADRB2 (0.46) PRMT5SLC6A2SLC6A4ADRB2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1329389-C Novel compounds and their use BIOVITRUM AB (SE) 2007-08-01 CN claimed
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
CN-1701068-A Novel compounds and their use BIOVITRUM AB (SE) 2005-11-23 CN 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
CN-1329389-C Novel compounds and their use BIOVITRUM AB (SE) 2007-08-01 CN disclosed
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
CN-1701068-A Novel compounds and their use BIOVITRUM AB (SE) 2005-11-23 CN 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 PRMT5 974/4885SLC6A2 587/4885SLC6A4 512/4885

“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.