SCHEMBL3290570

SCHEMBL3290570

NCC1Cc2ccc3ccccc3c2O1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 11/20 0.48
NFKB2 Q00653 11/20 0.48
RELA Q04206 11/20 0.48
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
CYP19A1 P11511 1/20 0.39
ANPEP P15144 1/20 0.38
AQP1 P29972 1/20 0.36

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
SCHEMBL8045126 0.84 NFKB1 (0.62) NFKB1NFKB2RELASLC6A2SLC6A4
SCHEMBL3295022 0.84 NFKB1 (0.48) NFKB1NFKB2RELACYP19A1
Hydrochloric Acid SCHEMBL8970554 0.83 NFKB1 (0.61) NFKB1NFKB2RELASLC6A2SLC6A4
SCHEMBL4230247 0.82 PRKAB2 (0.53) NFKB1NFKB2RELASLC6A2SLC6A4
SCHEMBL4596998 0.78 PRKAB2 (0.46) NFKB1NFKB2RELASLC6A2SLC6A4
SCHEMBL3292023 0.76 NFKB1 (0.62) NFKB1NFKB2RELACYP19A1
SCHEMBL9507945 0.75 CYP19A1 (0.43) NFKB1NFKB2RELASLC6A2SLC6A4
SCHEMBL3290625 0.75 AQP1 (0.49) NFKB1NFKB2RELASLC6A2SLC6A4
SCHEMBL3289625 0.74 NFKB1 (0.42) NFKB1NFKB2RELACYP19A1
SCHEMBL4225650 0.74 PRKAB2 (0.64) SLC6A2SLC6A4SLC6A3PRKAB2PRKAG1

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 8 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 claimed
EP-1675842-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Wyeth (US) 2006-07-05 EP claimed
US-20050124692-A1 Dihydrobenzofuranyl alkanamines and methods for using same as cns agents WYETH (US) 2005-06-09 US claimed
WO-2005040146-A1 DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WYETH (US) 2005-05-06 WO claimed
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.