SCHEMBL3291027

SCHEMBL3291027

NCC1Cc2c(ccc3c2CCCC3)O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
CYP19A1 P11511 1/20 0.30
NQO1 P15559 1/20 0.30
MAPT P10636 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
SCHEMBL3292373 0.83 BCL2L1 (0.34) ADRA1DADRA1AADRA1BBCL2L1BAD
SCHEMBL3290331 0.78 PRKAB2 (0.41) TAAR1NOS3NOS1NOS2BCL2L1
SCHEMBL3296230 0.75 KDM4E (0.39) MAPT
SCHEMBL3290338 0.75 PRKAB2 (0.41) TAAR1NOS3NOS1NOS2
SCHEMBL3292289 0.73 TOP2A (0.36) ADRA1DADRA1AADRA1B
SCHEMBL3291553 0.72 PRKAB2 (0.33) ADRA1DADRA1AADRA1B
SCHEMBL8035083 0.70 DRD2 (0.35) TAAR1NOS3NOS1NOS2BCL2L1
SCHEMBL9095936 0.70 DRD2 (0.35) ADRA1DADRA1AADRA1B
SCHEMBL3294452 0.70 ALDH1A1 (0.39) MAPT
Hydrochloric Acid SCHEMBL9095687 0.69 DRD2 (0.35) ADRA1DADRA1AADRA1B

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 TAAR1 83/4885NOS3 2617/4885NOS1 2521/4885

“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.