Sugi Predict

Sugi Predict / Compounds / SCHEMBL828332

SCHEMBL828332

SCHEMBL828332

O=C1Nc2ncccc2C2(CCNCC2)O1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.47
▸ CALCRL Q16602 9/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ RAMP1 O60894 1/20 0.36
▸ NPY5R Q15761 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CALCA P06881 1/20 0.34
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ HASPIN Q8TF76 1/20 0.33
▸ CDK19 Q9BWU1 1/20 0.33

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
Hydrochloric Acid SCHEMBL441040 0.99 KCNH2 (0.47) KCNH2CALCRLSIGMAR1RAMP1NPY5R
SCHEMBL29151404 0.95 KCNH2 (0.45) KCNH2CALCRLSIGMAR1RAMP1NPY5R
SCHEMBL30721756 0.95 KCNH2 (0.45) KCNH2CALCRLSIGMAR1RAMP1NPY5R
SCHEMBL30721772 0.95 KCNH2 (0.45) KCNH2CALCRLSIGMAR1RAMP1NPY5R
SCHEMBL30721762 0.95 KCNH2 (0.45) KCNH2CALCRLSIGMAR1RAMP1NPY5R
SCHEMBL29532267 0.89 KCNH2 (0.46) KCNH2CALCRLRAMP1NPY5RNPC1
SCHEMBL1700113 0.82 KCNH2 (0.55) KCNH2CALCRLSIGMAR1NPY5RDRD2
SCHEMBL13068677 0.82 KCNH2 (0.53) KCNH2CALCRLRAMP1NPY5R
SCHEMBL18822508 0.80 KCNH2 (0.51) KCNH2CALCRLNPY5R
SCHEMBL15190858 0.79 NPY5R (0.46) SIGMAR1NPY5RDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4714499-A2 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-03-25 — — EP disclosed
EP-3983416-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 — — EP disclosed
US-20250230129-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF JIANGSU NHWA PHARMACEUTICAL CO., LTD (CN) 2025-07-17 — — US disclosed
US-12344621-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-07-01 — — US disclosed
EP-4497754-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-01-29 — — EP disclosed
US-12178813-B2 CGRP receptor antagonists NXERA PHARMA UK LIMITED (GB) 2024-12-31 — — US disclosed
CN-118891270-A Polyamide compound, preparation method and medical application thereof 江苏恩华药业股份有限公司 2024-11-01 — — CN disclosed
CN-114245798-B CGRP antagonist compounds 奈克斯拉制药英国有限公司 2024-08-27 — — CN disclosed
CN-117624191-A Indazole carboxamide derivatives, preparation method and application thereof 熙源安健医药（上海）有限公司 2024-03-01 — — CN disclosed
WO-2023179659-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF 江苏恩华药业股份有限公司 2023-09-28 — — WO disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 — — US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 — — US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 — — US disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 — — US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 — — WO disclosed
WO-2007016087-A2 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-08 — — 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 (6 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-20250230129-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF ADCYAP1R1, PAICS, AGPS KCNH2 1450/4885CALCRL 1335/4885SIGMAR1 2144/4885
US-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL KCNH2 115/4885CALCRL 3/4885SIGMAR1 478/4885
US-20080113966-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR KCNH2 332/4885CALCRL 4/4885SIGMAR1 701/4885
US-12178813-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 KCNH2 568/4885CALCRL 1/4885SIGMAR1 496/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR KCNH2 580/4885CALCRL 1/4885SIGMAR1 668/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA KCNH2 459/4885CALCRL 1/4885SIGMAR1 336/4885

“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.