Sugi Predict

Sugi Predict / Compounds / SCHEMBL1624293

SCHEMBL1624293

SCHEMBL1624293

O=C(OCc1ccccc1)N1CCNC(CO)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CXCR4 P61073 1/20 0.48
▸ REN P00797 1/20 0.47
▸ HTR2C P28335 1/20 0.46
▸ GRIN2B Q13224 4/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA4 P22748 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ HTT P42858 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ SLC29A1 Q99808 1/20 0.44

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
SCHEMBL13202732 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL29277599 0.99 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL29277597 0.99 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29901356 0.90 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10095049 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29778266 0.89 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29277610 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL10991705 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL31701275 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29277609 0.89 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807270-B1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-13 — — EP disclosed
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2023-08-01 — — US disclosed
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-09-30 — — US disclosed
EP-3807270-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 — — EP disclosed
CN-112313228-A Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-02-02 — — CN disclosed
WO-2019238616-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 — — WO disclosed
WO-2013188856-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-12-19 — — WO disclosed
US-20130338142-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2013-12-19 — — US disclosed
EP-2307365-B1 SYNTHESIS AND USE OF HETEROCYCLIC ANTIBACTERIAL AGENTS MERCK SHARP & DOHME (US) 2013-03-27 — — EP disclosed
CN-101068794-B Quinazolines useful as modulators of ion channels VERTEX PHARMA 2012-12-19 — — CN disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 — — EP disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 — — EP disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 — — EP disclosed
CN-101068794-A Quinazolines useful as modulators of ion channels VERTEX PHARMA (US) 2007-11-07 — — CN disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 — — WO disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 — — EP disclosed
US-20060173018-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 — — WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 — — WO disclosed
US-5955460-A EFFECTIVE AGAINST INFECTIONS CAUSED BY ANTIBIOTIC RESISTANT BACTERIA PHARMACIA & UPJOHN COMPANY (US) 1999-09-21 — — US 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 (4 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-20130338142-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, ZAP70, BTK SMN1; SMN2 1989/4885NPC1 3642/4885RAB9A 3679/4885
US-11713327-B2 Heteroaryl heterocyclyl compounds for the treatment of autoimmune disease SSB, UACA, HLA-DRB1 SMN1; SMN2 2573/4885NPC1 1635/4885RAB9A 248/4885
US-20210300947-A1 NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, UACA, HLA-DRB1 SMN1; SMN2 2864/4885NPC1 1410/4885RAB9A 190/4885
US-20060173018-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 SMN1; SMN2 994/4885NPC1 633/4885RAB9A 1051/4885

“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.