SCHEMBL3290641

SCHEMBL3290641

OCC(O)Cc1ccc2c(c1OCc1ccccc1)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRB P28702 10/20 0.39
RXRA P19793 10/20 0.39
RXRG P48443 7/20 0.39
CXCR2 P25025 3/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
AGTR2 P50052 1/20 0.34

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
SCHEMBL3291286 0.98 RXRB (0.39) RXRBRXRARXRGCXCR2MAOA
SCHEMBL3290312 0.81 CXCR2 (0.36) RXRBRXRARXRGCXCR2MAOB
SCHEMBL3292337 0.81 RXRB (0.44) RXRBRXRARXRGMRGPRX4TSHR
SCHEMBL3291395 0.80 HPD (0.37) RXRBRXRARXRGMAOBTSHR
SCHEMBL3288879 0.79 CXCR2 (0.35) RXRBRXRARXRGCXCR2MAOA
SCHEMBL3290684 0.78 CHRNA7 (0.40) RXRBRXRARXRGMAOAMAOB
SCHEMBL3293273 0.77 HPD (0.38) RXRBRXRARXRGMAOAMAOB
SCHEMBL23858971 0.76 RXRB (0.41) RXRBRXRARXRGCXCR2MAOA
SCHEMBL3291871 0.76 RXRB (0.39) RXRBRXRARXRGCXCR2MAOA
SCHEMBL3294566 0.74 MEN1 (0.43) CXCR2MAOBRAB9APRMT5WDR77

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 RXRB 1186/4885RXRA 1269/4885RXRG 1214/4885

“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.