SCHEMBL3290338

SCHEMBL3290338

NCC1Cc2ccc3c(c2O1)CCC3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
AQP1 P29972 1/20 0.38
TAAR1 Q96RJ0 1/20 0.33
PARP1 P09874 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL3290331 0.97 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5697279 0.87 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3291283 0.83 RXFP1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8035083 0.81 DRD2 (0.35) TAAR1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL8970254 0.80 DRD2 (0.34) TAAR1NOS3NOS1NOS2
SCHEMBL3291401 0.79 RXFP1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5793346 0.79 AQP1 (0.42) AQP1TAAR1
SCHEMBL3289081 0.77 AQP1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3291449 0.76 AQP1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL3291027 0.75 TAAR1 (0.33) TAAR1NOS3NOS1NOS2

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-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
WO-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 WO 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 PRKAB2 3708/4885PRKAG1 3468/4885PRKAA2 2949/4885

“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.