SCHEMBL3293273

SCHEMBL3293273

OCC(O)Cc1c(Cl)cc2c(c1OCc1ccccc1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.38
HMGCR P04035 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
RXRB P28702 5/20 0.35
RXRA P19793 4/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
DHODH Q02127 1/20 0.35
NLRP3 Q96P20 2/20 0.35
RXRG P48443 3/20 0.34
FABP4 P15090 1/20 0.34
GLRA1 P23415 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3295478 0.80 HPD (0.36) HPDHMGCRMAOAMAOBNLRP3
SCHEMBL27642845 0.79 HPD (0.40) HPDMAOAMAOBRXRBRXRA
SCHEMBL3291286 0.79 RXRB (0.39) MAOAMAOBRXRBRXRAMRGPRX4
SCHEMBL3293114 0.78 MAOB (0.38) HPDMAOAMAOBRXRBRXRA
SCHEMBL3290641 0.77 RXRB (0.39) MAOAMAOBRXRBRXRAMRGPRX4
SCHEMBL3292337 0.74 RXRB (0.44) RXRBRXRAMRGPRX4RXRGRAB9A
SCHEMBL3291395 0.74 HPD (0.37) HPDMAOBRXRBRXRADHODH
SCHEMBL3291657 0.69 GLRA1 (0.37) HMGCRGLRA1MEN1NPC1RAB9A
SCHEMBL3290684 0.69 CHRNA7 (0.40) MAOAMAOBRXRBRXRAMRGPRX4
SCHEMBL27295786 0.67 MAOB (0.42) HPDMAOAMAOBRXRBRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728155-B2 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH LLC (US) 2010-06-01 US disclosed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP disclosed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US disclosed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 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-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents HTR2C, HTR1A, HTR1B HPD 1403/4885HMGCR 3647/4885MAOA 68/4885

“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.