Sugi Predict

Sugi Predict / Compounds / SCHEMBL6908792

SCHEMBL6908792

SCHEMBL6908792

O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccc4ncccc4c3O1)CC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.73
▸ DRD2 P14416 10/20 0.73
▸ OPRM1 P35372 6/20 0.69
▸ OPRK1 P41145 6/20 0.69
▸ HTR2A P28223 4/20 0.69
▸ DRD4 P21917 2/20 0.69
▸ DRD3 P35462 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ TSHR P16473 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ NR1I2 O75469 1/20 0.69
▸ LMNA P02545 1/20 0.69
▸ ADRA2A P08913 1/20 0.69

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 0.89 HTR1A (0.71) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6908250 0.87 HTR1A (0.69) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6776590 0.85 HTR1A (0.67) HTR1ADRD2OPRM1OPRK1HTR2A
Spiroxatrine SCHEMBL1255303 0.82 DRD2 (1.00) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL6991007 0.81 HTR1A (0.70) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL9386414 0.78 OPRL1 (0.66) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL7998679 0.72 OPRM1 (0.73) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL8014002 0.72 OPRM1 (0.73) HTR1ADRD2OPRM1OPRK1HTR2A
SCHEMBL9677855 0.72 OPRM1 (0.67) HTR1ADRD2OPRM1OPRK1HTR2A
Hydrochloric Acid SCHEMBL7999277 0.71 OPRM1 (0.72) 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 5 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
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 22/4885OPRM1 97/4885

“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.