SCHEMBL5585294

SCHEMBL5585294

COc1nc(N2CCNCC2)ccc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.62
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 1/20 0.48
HTR2C P28335 4/20 0.47
ADRB1 P08588 3/20 0.47
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3A P46098 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
HTT P42858 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL26074527 0.87 ADRB2 (0.49) ADRB2CYP1A2HTR2CADRB1HTR3E
SCHEMBL23779550 0.85 ADRB2 (0.43) ADRB2CYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL5585313 0.83 ADRB2 (0.55) ADRB2CYP1A2CYP2C9HTR2CADRB1
SCHEMBL31651657 0.81 HTR3E (0.50) ADRB2CYP1A2HTR2CADRB1HTR3E
SCHEMBL3821296 0.81 HTR3E (0.43) ADRB2CYP1A2HTR3EHTR3BHTR3A
SCHEMBL5585593 0.80 ADRB2 (0.55) ADRB2CYP1A2CYP2C9HTR2CADRB1
SCHEMBL5585578 0.80 ADRB2 (0.46) ADRB2CYP1A2CYP2C9HTR2CSLC6A4
SCHEMBL5585304 0.79 PRMT5 (0.52) ADRB2CYP1A2CYP2C9HTR2CADRB1
SCHEMBL26076035 0.79 HTR3E (0.51) ADRB2CYP1A2HTR2CADRB1HTR3E
SCHEMBL5585610 0.78 ADRB2 (0.53) ADRB2CYP1A2CYP2C9HTR2CADRB1

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 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.