Sugi Predict

Sugi Predict / Compounds / SCHEMBL6796757

SCHEMBL6796757

SCHEMBL6796757

c1cc2nocc2c2c1OCCO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ ADRA1B P35368 2/20 0.35
▸ ADRA2B P18089 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL6799604 0.71 HTR1A (0.34) —
SCHEMBL4192166 0.69 MAPT (0.52) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL6625411 0.68 CLK4 (0.37) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL14164015 0.68 ALDH1A1 (0.43) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7249060 0.66 RHOA (0.32) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL6007485 0.65 KDM4E (0.35) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL8272975 0.64 ADRA2A (0.42) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL5767894 0.64 ADRA2A (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL4198122 0.64 KDM4E (0.36) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL6297259 0.64 MEN1 (0.39) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-6800642-B2 SUCH AS BENZYL-(-7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA(A)NAPHTHALEN-8-YLMETHYL) -AMINE; FOR TREATMENT OF DRUG DEPENDENCE/ADDICTION, BIPOLAR DISORDER, PARKINSON'S DISEASE, LEVODOPA INDUCED PSYCHOSES OR DYSKINESIAS WYETH 2004-10-05 — — US disclosed
WO-2002088141-A3 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE WYETH CORP (US) 2003-02-27 — — WO disclosed
US-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene WYETH (US) 2002-12-26 — — US disclosed
WO-2002088141-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE WYETH (US) 2002-11-07 — — WO disclosed
WO-2002088141-A2 ANTIPSYCHOTIC AMINOMETHYL DERIVATIVES OF 7,8-DIHYDRO-2,6,9-TRIOXA-3-AZA-CYCLOPENTA[a]NAPHTHALENE 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-20020198217-A1 Antipsychotic aminomethyl derivatives of 7,8-dihydro-2,6,9-trioxa-3-aza-cyclopenta[a]naphthalene SNCA, SYNJ2, PARK7 ADRA2A 731/4885ADRA2C 506/4885ADRA1D 599/4885

“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.