Sugi Predict

Sugi Predict / Compounds / SCHEMBL55617

SCHEMBL55617

SCHEMBL55617

Nc1ccc(OCCN2CCOCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ LTA4H P09960 2/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD5 P21918 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.45

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
SCHEMBL29769807 1.00 SIGMAR1 (0.48) SIGMAR1TSHRCA12CA1CA2
Hydrochloric Acid SCHEMBL16210022 0.99 NPC1 (0.48) SIGMAR1TSHRCA12CA1CA2
SCHEMBL6643866 0.93 HRH3 (0.51) SIGMAR1TSHRKDM4EALDH1A1
SCHEMBL55766 0.89 SIGMAR1 (0.41) SIGMAR1TSHRCA12CA1CA2
SCHEMBL1021170 0.86 LTA4H (0.59) TSHRLTA4H
SCHEMBL6413519 0.85 LTA4H (0.58) TSHRLTA4H
Hydrochloric Acid SCHEMBL1640534 0.85 LTA4H (0.58) TSHRLTA4H
SCHEMBL3388992 0.84 LTA4H (0.47) SIGMAR1LTA4H
SCHEMBL25399700 0.82 LTA4H (0.46) SIGMAR1LTA4HKDM4E
SCHEMBL3337028 0.82 TSHR (0.56) SIGMAR1TSHRLTA4HDRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 — — US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 — — US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 — — US claimed
EP-4674415-A2 AZAQUINOLINES AS INHIBITORS OF CD38 Boehringer Ingelheim International GmbH (DE) 2026-01-07 — — EP disclosed
EP-4284511-B1 AZAQUINOLINES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2025-07-16 — — EP disclosed
US-20240279224-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-22 — — US disclosed
US-11952377-B2 Quinolines and azaquinolines as inhibitors of CD38 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-04-09 — — US disclosed
EP-4284511-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 Boehringer Ingelheim International GmbH (DE) 2023-12-06 — — EP disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 — — WO disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 — — WO disclosed
WO-2022165114-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2022-08-04 — — WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 — — WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 — — US disclosed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 — — US disclosed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 — — 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 (7 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 SIGMAR1 128/4885TSHR 252/4885CA12 3535/4885
US-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 SIGMAR1 132/4885TSHR 133/4885CA12 2420/4885
US-20240279224-A1 QUINOLINES AND AZAQUINOLINES AS INHIBITORS OF CD38 CD38, NQO1, NQO2 SIGMAR1 4436/4885TSHR 3714/4885CA12 749/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD SIGMAR1 3922/4885TSHR 3586/4885CA12 4669/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 SIGMAR1 128/4885TSHR 252/4885CA12 3535/4885
US-11952377-B2 Quinolines and azaquinolines as inhibitors of CD38 CD38, NQO1, NQO2 SIGMAR1 4436/4885TSHR 3714/4885CA12 749/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 SIGMAR1 2387/4885TSHR 1504/4885CA12 3877/4885

“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.