SCHEMBL5585578

SCHEMBL5585578

COc1ccc(F)cc1COc1nc(N2CCNCC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
HTR2C P28335 6/20 0.46
PRMT5 O14744 3/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 3/20 0.42
PKM P14618 1/20 0.41
ALK Q9UM73 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAP4K1 Q92918 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
Acetic Acid SCHEMBL6184606 0.94 HTR2C (0.44) ADRB2HTR2CPRMT5HTR2AHTR2B
SCHEMBL5585294 0.80 ADRB2 (0.62) ADRB2HTR2CPRMT5HTR2AHTR6
SCHEMBL5585603 0.79 HTR1A (0.48) ADRB2HTR2CPRMT5HTR2AHTR6
SCHEMBL5585592 0.78 PRMT5 (0.58) ADRB2HTR2CPRMT5HTR2AHTR6
SCHEMBL5585730 0.78 ADRB2 (0.51) ADRB2HTR2CPRMT5HTR2AHTR6
SCHEMBL5585610 0.77 ADRB2 (0.53) ADRB2HTR2CPRMT5HTR2AHTR2B
SCHEMBL3266361 0.77 HTR2C (0.54) HTR2CHTR2AHTR2BHTR6PKM
SCHEMBL5585313 0.77 ADRB2 (0.55) ADRB2HTR2CPRMT5HTR2AHTR6
SCHEMBL3266572 0.77 SLC6A2 (0.43) HTR2CHTR2AHTR2BHTR6SLC6A2
Acetic Acid SCHEMBL6183443 0.76 PRMT5 (0.43) ADRB2HTR2CPRMT5HTR2AHTR6

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 9 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
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 63/4885HTR2C 233/4885PRMT5 974/4885

“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.