SCHEMBL3292280

SCHEMBL3292280

O=C(O)NCC1Cc2ccc3c(c2O1)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NQO1 P15559 3/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3290329 0.97 NFKB1 (0.39) NFKB1NFKB2RELASMN1; SMN2L3MBTL1
SCHEMBL3296230 0.82 KDM4E (0.39) SMN1; SMN2L3MBTL1HPGDRAB9AGPBAR1
SCHEMBL3290320 0.80 EZH2 (0.39) NFKB1NFKB2RELASMN1; SMN2L3MBTL1
SCHEMBL3290322 0.77 EZH2 (0.42) NFKB1NFKB2RELASMN1; SMN2HPGD
SCHEMBL3291401 0.77 RXFP1 (0.36) HPGDKDM4ENQO1ALDH1A1
SCHEMBL5793346 0.77 AQP1 (0.42) NFKB1NFKB2RELANQO1
SCHEMBL3290426 0.76 EZH2 (0.36) NFKB1NFKB2RELASMN1; SMN2HPGD
SCHEMBL15758968 0.76 PRKAB2 (0.41) NFKB1NFKB2RELASMN1; SMN2HPGD
SCHEMBL3293125 0.76 KDM4E (0.38) SMN1; SMN2HPGDRAB9AGPBAR1KDM4E
SCHEMBL3292023 0.76 NFKB1 (0.62) NFKB1NFKB2RELAKMT2AKDM4E

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 NFKB1 3154/4885NFKB2 3050/4885RELA 3860/4885

“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.