SCHEMBL6906280

SCHEMBL6906280

Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)O3

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.61
DRD2 P14416 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C8 P10632 1/20 0.53
DRD4 P21917 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD3 P35462 1/20 0.53
SLC6A4 P31645 1/20 0.48
HTR2A P28223 3/20 0.45
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6782174 0.84 HTR2A (0.51) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6797367 0.84 HTR2A (0.43) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL4187208 0.82 HTR1A (0.65) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL6907539 0.79 HTR1A (0.69) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5912602 0.77 HTR1A (0.66) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL5912597 0.77 HTR1A (0.66) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL11107203 0.76 ADRA2A (0.55) HTR1ADRD2HTR2AHTR2CSMN1; SMN2
SCHEMBL5912561 0.76 HTR1A (1.00) HTR1ADRD2CYP3A4CYP2C8DRD4
SCHEMBL6906137 0.76 HTR1A (0.39) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7038063 0.76 HTR2A (0.42) HTR1ADRD2HTR2AHTR2CHTR2B

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 2/4885DRD2 22/4885CYP3A4 259/4885

“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.