SCHEMBL6904652

SCHEMBL6904652

Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(n2c(=O)[nH]c4ccccc42)CC1)O3

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.64
DRD2 P14416 1/20 0.64
HTR2A P28223 1/20 0.64
HTR2C P28335 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A4 P31645 1/20 0.54

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
SCHEMBL6772982 0.85 DRD2 (0.60) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11096796 0.81 DRD2 (0.61) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11096050 0.80 DRD2 (0.62) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL9943304 0.80 DRD2 (0.61) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11101398 0.80 DRD2 (0.62) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11095945 0.80 DRD2 (0.62) HTR1ADRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL11096032 0.79 DRD2 (0.61) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL11101393 0.79 DRD2 (0.59) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL4187208 0.78 HTR1A (0.65) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6627993 0.78 HTR1A (0.67) HTR1ADRD2SLC6A4

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 22/4885HTR2A 9/4885

“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.