Sugi Predict

Sugi Predict / Compounds / SCHEMBL792083

SCHEMBL792083

SCHEMBL792083

COc1cccc(-c2cccnc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.73
▸ CYP11B1 P15538 9/20 0.73
▸ CYP17A1 P05093 5/20 0.73
▸ CYP19A1 P11511 4/20 0.73
▸ CYP3A4 P08684 3/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPY5R Q15761 1/20 0.64
▸ DYRK1A Q13627 1/20 0.58
▸ CLK4 Q9HAZ1 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ MEN1 O00255 1/20 0.55

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
SCHEMBL29566706 1.00 CYP11B2 (0.73) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL2239430 0.93 CYP11B2 (0.65) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
Hydrochloric Acid SCHEMBL2242347 0.92 CYP11B2 (0.63) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL30338584 0.87 CYP11B2 (0.65) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL17779982 0.86 CYP11B2 (0.60) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL29419006 0.85 CYP11B2 (0.63) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL12108683 0.85 CYP11B1 (0.65) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL4500403 0.84 CYP11B2 (1.00) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL16109048 0.83 CES2 (0.64) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4
SCHEMBL12303147 0.83 DYRK1A (0.55) CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 — — EP claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 — — WO claimed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
CN-105294776-B A kind of preparation method of the symmetrical dimer of nitrogen heterocyclic ring aromatic compound 兰州大学 2018-06-15 — — CN disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 — — US disclosed
CN-105452233-A Piperidine and azepane derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICALS CO 2016-03-30 — — CN disclosed
EP-1231212-A1 Pharmaceutical compositions for the treatment of disorders of the CNS and other disorders Pfizer Products Inc. (US) 2002-08-14 — — EP disclosed
CN-1278249-A Biphenyl derivatives as pharmaceuticals NOVARTIS AG (CH) 2000-12-27 — — CN disclosed
US-4937346-A Phenyl-azacykloalkanes Carlsson, Per Arvid Emil (SE) 1990-06-26 — — US disclosed
EP-0084920-B1 NEW COMPOUNDS USEFUL AS INTERMEDIATES OR STARTING MATERIALS FOR PREPARATION OF THERAPEUTICALLY USEFUL PHENYL-AZACYCLOALKANES Carlsson, Per Arvid Emil (SE) 1989-04-19 — — EP disclosed
US-4719219-A Phenyl-azacycloalkanes and use thereof in treatment of central nervous system disorders Carlsson, Per A. E. (SE) 1988-01-12 — — US disclosed
US-4426386-A CNS DISORDERS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1984-01-17 — — US disclosed
EP-0084920-A2 New compounds useful as intermediates or starting materials for preparation of therapeutically useful phenyl-azacycloalkanes Carlsson, Per Arvid Emil (SE) 1983-08-03 — — EP disclosed
EP-0030526-A1 New phenyl-azacycloalkanes, processes for preparation and pharmaceutical preparations for such compounds Astra Läkemedel Aktiebolag (SE) 1981-06-17 — — EP disclosed
WO-1981001552-A1 NEW PHENYL-AZACYCLOALKANES ASTRA LAEKEMEDEL AB (SE) 1981-06-11 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CYP11B2 3679/4885CYP11B1 3591/4885CYP17A1 4493/4885

“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.