SCHEMBL6776590

SCHEMBL6776590

Cc1nc2ccc3c(c2o1)OC(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)CO3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.67
DRD2 P14416 11/20 0.67
OPRM1 P35372 5/20 0.67
OPRK1 P41145 5/20 0.67
HTR2A P28223 4/20 0.67
DRD4 P21917 3/20 0.67
DRD3 P35462 3/20 0.67
HTR7 P34969 2/20 0.67
MEN1 O00255 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
NFKB1 P19838 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
NR1I2 O75469 1/20 0.67
LMNA P02545 1/20 0.67

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
SCHEMBL6906289 0.87 HTR1A (0.71) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6908792 0.85 HTR1A (0.73) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6908250 0.84 HTR1A (0.69) HTR1ADRD2OPRM1OPRK1HTR2A
Spiroxatrine SCHEMBL1255303 0.81 DRD2 (1.00) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6991007 0.79 HTR1A (0.70) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6773488 0.77 ADRA2A (0.50) HTR1ADRD2DRD4DRD3CYP3A4
SCHEMBL9386414 0.76 OPRL1 (0.66) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6777242 0.74 HTR1A (0.42) HTR1ADRD2HTR2ADRD4DRD3
SCHEMBL6782983 0.73 HTR1A (0.58) HTR1ADRD2DRD4DRD3MEN1
SCHEMBL6772982 0.73 DRD2 (0.60) HTR1ADRD2OPRM1OPRK1HTR2A

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 HTR1A 1/4885DRD2 185/4885OPRM1 811/4885

“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.