Sugi Predict

Sugi Predict / Compounds / SCHEMBL4363583

SCHEMBL4363583

SCHEMBL4363583

C=CCOc1cc([N+](=O)[O-])ccc1OC[C@H]1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ DRD4 P21917 3/20 0.44
▸ HTR1A P08908 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ PKM P14618 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4363587 1.00 PRMT5 (0.44) PRMT5WDR77DRD4HTR1AALDH1A1
SCHEMBL1531394 0.82 DRD4 (0.54) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL19461879 0.82 DRD4 (0.60) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL1531274 0.82 DRD4 (0.54) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL19462473 0.82 DRD4 (0.60) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL6230620 0.81 DRD4 (0.49) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL5582555 0.81 DRD4 (0.49) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL6234022 0.81 DRD4 (0.49) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL20786636 0.81 PRMT5 (0.49) PRMT5WDR77DRD4ALDH1A1PKM
SCHEMBL13243222 0.81 CYP19A1 (0.46) PRMT5WDR77DRD4ALDH1A1PKM

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 — — US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 — — US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 — — US disclosed
US-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 — — US disclosed
US-7335666-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-02-26 — — US disclosed
EP-1537122-B9 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-10-31 — — EP disclosed
EP-1537122-B1 ANTIDEPRESSANT INDOLEALKYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH CORP (US) 2007-08-22 — — EP disclosed
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2007-01-04 — — US disclosed
US-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2006-12-28 — — US disclosed
EP-1375503-B1 Dioxino derivatives and their use as dopanine agonists WYETH CORP (US) 2006-12-27 — — EP disclosed
WO-2002088144-A2 ANTIDEPRESSANT AZAHETEROCYCLYLMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-f]QUINOXALINE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002085912-A1 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-3H-6,9-DIOXA-1,3-DIAZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-10-31 — — WO disclosed
US-6458802-B1 ANTIDEPRESSANTS, OBSESSIVE COMPULSIVE DISORDER, DIETETICS WYETH 2002-10-01 — — US disclosed
WO-2002072587-A1 ANTIDEPRESSANT AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO[2,3-F]QUINOLINE WYETH (US) 2002-09-19 — — WO disclosed
US-5962465-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-05 — — US disclosed
EP-0932609-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-04 — — EP disclosed
US-5869490-A ADMINSTERING TO TREAT BRAIN DOPAMINE DYSREGULATION; SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-09 — — US disclosed
US-5756532-A Aminomethyl-2 3 8 9-tetrahydro-7H-1 4-dioxino 2 3-E!-indol-8-ones and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 — — US disclosed
WO-1998016530-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-04-23 — — WO disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 — — EP 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 (3 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-20060293301-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, HTR5A, DBH PRMT5 1304/4885WDR77 653/4885DRD4 36/4885
US-20070004702-A1 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans CRH, CYP19A1, HTR5A PRMT5 1037/4885WDR77 620/4885DRD4 35/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH PRMT5 1361/4885WDR77 465/4885DRD4 8/4885

“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.