SCHEMBL6782983

SCHEMBL6782983

Cc1nc2ccc3c(c2o1)OC(CN1CC=C(c2ccccc2)CC1)CO3

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.58
SLC6A4 P31645 1/20 0.58
DRD4 P21917 3/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6771318 0.89 HTR1A (0.48) HTR1ASLC6A4KDM4EMEN1ALDH1A1
SCHEMBL6847481 0.86 HTR1A (0.78) HTR1ASLC6A4DRD2KDM4E
SCHEMBL4361658 0.86 HTR1A (0.56) HTR1ASLC6A4DRD4DRD2DRD3
SCHEMBL6903037 0.84 HTR1A (0.76) HTR1ASLC6A4DRD4DRD2DRD3
SCHEMBL6843636 0.81 HTR1A (0.60) HTR1ASLC6A4DRD2KDM4E
SCHEMBL6773488 0.80 ADRA2A (0.50) HTR1ASLC6A4DRD4DRD2DRD3
SCHEMBL6844182 0.79 HTR1A (0.66) HTR1ASLC6A4DRD2
SCHEMBL6844238 0.79 HTR1A (0.64) HTR1ASLC6A4DRD2
SCHEMBL6848226 0.79 HTR1A (0.64) HTR1ASLC6A4DRD4DRD2DRD3
SCHEMBL6843626 0.78 HTR1A (0.61) HTR1ASLC6A4DRD4DRD2DRD3

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 2 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 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

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 1/4885SLC6A4 241/4885DRD4 296/4885

“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.