SCHEMBL5585313

SCHEMBL5585313

CCCOc1nc(N2CCNCC2)ccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 1/20 0.46
HTR2C P28335 4/20 0.44
HTR2A P28223 1/20 0.44
ADRB1 P08588 3/20 0.42
EPHX2 P34913 1/20 0.42
PRMT5 O14744 2/20 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
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTT P42858 1/20 0.42
HTR3A P46098 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
Acetic Acid SCHEMBL6185363 0.93 ADRB2 (0.49) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5586025 0.84 ADRB2 (0.52) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL6185077 0.83 ADRB2 (0.51) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5585316 0.83 ADRB2 (0.51) ADRB2CYP1A2CYP2C9HTR2CHTR2A
Hydrochloric Acid SCHEMBL6187280 0.83 ADRB2 (0.54) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5585294 0.83 ADRB2 (0.62) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5585778 0.82 ADRB2 (0.50) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5585625 0.82 ADRB2 (0.50) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5585612 0.82 ADRB2 (0.49) ADRB2CYP1A2CYP2C9HTR2CHTR2A
SCHEMBL5585610 0.81 ADRB2 (0.53) ADRB2CYP1A2CYP2C9HTR2CHTR2A

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 13 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
US-20030232814-A1 Novel compounds and their use BIOVITRUM AB (PUBL) (SE) 2003-12-18 US 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 ADRB2 63/4885CYP1A2 141/4885CYP2C9 403/4885

“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.