Sugi Predict

Sugi Predict / Compounds / SCHEMBL7480756

SCHEMBL7480756

SCHEMBL7480756

Cc1ccc(Br)c(OC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ CSNK2A1 P68400 2/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL16956140 0.83 CYP1A2 (0.46) ACHEL3MBTL1MAPTHPGDCYP1A2
SCHEMBL19606074 0.82 ALDH1A1 (0.44) ACHEL3MBTL1MAPTHPGDCYP1A2
SCHEMBL12313570 0.80 ACHE (0.50) ACHEMAPTHPGDIDO1TDO2
SCHEMBL12635068 0.80 L3MBTL1 (0.38) ACHEL3MBTL1MAPTHPGDCYP1A2
SCHEMBL13059072 0.78 ACHE (0.43) ACHECYP1A2CYP2C9IDO1TDO2
SCHEMBL4677324 0.78 MAOB (0.41) ACHEMAPTCSNK2A1HTR2AHTR2C
SCHEMBL2373312 0.78 ALDH1A1 (0.42) L3MBTL1MAPTCSNK2A1HTR2AHTR2C
SCHEMBL29092064 0.78 CSNK2A1 (0.40) CYP1A2CYP2C19CYP2C9CSNK2A1HTR2A
SCHEMBL4929592 0.78 FFAR1 (0.38) ACHECSNK2A1HTR2AHTR2CHTR2B
SCHEMBL30462807 0.78 FFAR1 (0.38) ACHECSNK2A1HTR2AHTR2CHTR2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386951-B1 PHENYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS HOFFMANN LA ROCHE (CH) 2020-02-26 — — EP disclosed
EP-1007512-B1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PROD INC (US) 2002-04-03 — — EP disclosed
US-6362195-B1 INHIBITOR OF NITRIC OXIDE SYNTHASE; CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-03-26 — — US disclosed
US-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines LOWE JOHN ADAMS (US) 2002-02-21 — — US disclosed
CN-1268122-A Branched alkoxy- substituted 2-aminopyridines as NOS inhibitors PFIZER PROD INC (US) 2000-09-27 — — CN disclosed
EP-1007512-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS Pfizer Products Inc. (US) 2000-06-14 — — EP disclosed
WO-1999011620-A1 BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS PFIZER PRODUCTS INC. (US) 1999-03-11 — — 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-20020022642-A1 Branched alkoxy-subsituted 2-aminopyridines NOS3, NOS2, PNMT ACHE 127/4885L3MBTL1 2651/4885MAPT 1075/4885

“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.