SCHEMBL6773488

SCHEMBL6773488

Cc1nc2ccc3c(c2o1)OC(CN1CCCCC1)CO3

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
HTR1A P08908 12/20 0.47
DRD2 P14416 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C8 P10632 1/20 0.42
DRD4 P21917 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A4 P31645 1/20 0.41

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
SCHEMBL6777242 0.85 HTR1A (0.42) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL4375172 0.81 RXFP1 (0.38) HTR1ASLC6A4
SCHEMBL4365997 0.81 RXFP1 (0.38) HTR1ASLC6A4
SCHEMBL6782983 0.80 HTR1A (0.58) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL6907539 0.80 HTR1A (0.69) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6782174 0.79 HTR2A (0.51) HTR1ADRD2
SCHEMBL5912866 0.77 HTR1A (0.74) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL6776590 0.77 HTR1A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6776764 0.77 HTR1A (0.51) HTR1ADRD2CYP3A4DRD4DRD3
SCHEMBL6772982 0.77 DRD2 (0.60) ADRA1DADRA1AADRA1BHTR1ADRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6815448-B2 FOR THERAPY OF OGNITIVE DEFICITS DUE TO AGING, STROKE, HEAD TRAUMA, ALZHEIMER'S DISEASE OR OTHER NEURODEGENERATIVE DISEASES, OR SCHIZOPHRENIA; ANXIETY, AGGRESSION AND STRESS, AND FOR THE CONTROL OF VARIOUS PHYSIOLOGICAL PHENOMENA WYETH 2004-11-09 US claimed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US claimed
WO-2002090362-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-14 WO claimed
US-6815448-B2 FOR THERAPY OF OGNITIVE DEFICITS DUE TO AGING, STROKE, HEAD TRAUMA, ALZHEIMER'S DISEASE OR OTHER NEURODEGENERATIVE DISEASES, OR SCHIZOPHRENIA; ANXIETY, AGGRESSION AND STRESS, AND FOR THE CONTROL OF VARIOUS PHYSIOLOGICAL PHENOMENA WYETH 2004-11-09 US disclosed
US-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2002-12-19 US disclosed
WO-2002090362-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 7,8-DIHYDRO-1,6,9-TRIOXA-3-AZA-CYCLOPENTA[A]NAPHTHALENE AS 5-HT1A ANTAGONISTS WYETH (US) 2002-11-14 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-20020193365-A1 Azaheterocyclylmethyl derivatives of 7,8-dihydro-1,6,9-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists HTR1A, HTR5A, HTR1D ADRA2A 34/4885ADRA2B 67/4885ADRA2C 36/4885

“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.