SCHEMBL6906324

SCHEMBL6906324

Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)O3

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
CYP2C19 P33261 1/20 0.49
DRD3 P35462 1/20 0.49
OPRL1 P41146 3/20 0.48
OPRM1 P35372 3/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A4 P31645 1/20 0.47
OPRD1 P41143 1/20 0.43

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
SCHEMBL6776764 0.86 HTR1A (0.51) HTR1ACYP3A4DRD2DRD4DRD3
SCHEMBL6007524 0.86 HTR1A (0.68) HTR1A
SCHEMBL5912614 0.84 HTR1A (0.63) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL6906269 0.77 HTR1A (0.61) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL6907539 0.76 HTR1A (0.69) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL4187208 0.75 HTR1A (0.65) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912602 0.74 HTR1A (0.66) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912597 0.74 HTR1A (0.66) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5912692 0.74 HTR1A (0.73) HTR1ACYP3A4CYP2C8DRD2DRD4
SCHEMBL5112827 0.74 HTR1A (0.69) HTR1AOPRL1OPRM1OPRK1SLC6A4

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-6821981-B2 FOR THERAPY OF DISORDERS, SUCH AS ANXIETY, AGGRESSION AND STRESS, AND FOR THE CONTROL OF VARIOUS PHYSIOLOGICAL PHENOMENA, SUCH AS APPETITE, THERMOREGULATION, SLEEP AND SEXUAL BEHAVIOR WYETH 2004-11-23 US claimed
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists WYETH 2002-12-19 US claimed
WO-2002088132-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE AS 5-HT1AANTAGONISTS WYETH (US) 2002-11-07 WO claimed
US-6821981-B2 FOR THERAPY OF DISORDERS, SUCH AS ANXIETY, AGGRESSION AND STRESS, AND FOR THE CONTROL OF VARIOUS PHYSIOLOGICAL PHENOMENA, SUCH AS APPETITE, THERMOREGULATION, SLEEP AND SEXUAL BEHAVIOR WYETH 2004-11-23 US disclosed
US-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists WYETH 2002-12-19 US disclosed
WO-2002088132-A1 AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE AS 5-HT1AANTAGONISTS WYETH (US) 2002-11-07 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-20020193366-A1 Azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-dioxino[2,3-f]-quinoline as 5-HT1A antagonists HTR2C, HTR1A, HTR3B HTR1A 2/4885CYP3A4 259/4885CYP2C8 809/4885

“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.