SCHEMBL4575110

SCHEMBL4575110

CN(C)[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
OPRL1 P41146 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30

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
SCHEMBL4277636 1.00 TDP1 (0.33) TDP1OPRL1L3MBTL3
SCHEMBL83552 1.00 TDP1 (0.33) TDP1OPRL1L3MBTL3
Hydrochloric Acid SCHEMBL10326141 0.97 TDP1 (0.32) TDP1OPRL1
Hydrochloric Acid SCHEMBL628075 0.97 TDP1 (0.32) TDP1OPRL1
Hydrochloric Acid SCHEMBL13583563 0.97 TDP1 (0.32) TDP1OPRL1
Hydrochloric Acid SCHEMBL15191249 0.97 TDP1 (0.32) TDP1OPRL1
Water SCHEMBL28597949 0.97 TDP1 (0.32) TDP1OPRL1
SCHEMBL7795040 0.85
SCHEMBL661220 0.83 TDP1 (0.42) TDP1L3MBTL3
SCHEMBL613375 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50776-E1 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-02-03 US disclosed
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2025-11-25 US disclosed
EP-3707126-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2025-05-14 EP disclosed
US-12258327-B2 5-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2025-03-25 US disclosed
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2024-12-26 US disclosed
US-20240391881-A1 PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE ORIGIANT PHARMACEUTICAL CO., LTD. (CN) 2024-11-28 US disclosed
US-12098154-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-09-24 US disclosed
US-12071424-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-08-27 US disclosed
EP-4410787-A1 PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE Origiant Pharmaceutical Co., Ltd (CN) 2024-08-07 EP disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 US disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
WO-2015003958-A1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-15 WO disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2014-05-15 US disclosed
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2014-05-15 US disclosed
WO-2014068443-A1 SPLICEOSTATIN ANALOGS PFIZER INC. (US) 2014-05-08 WO disclosed
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (9 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-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 TDP1 276/4885OPRL1 4063/4885L3MBTL3 682/4885
US-20240425477-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 TDP1 276/4885OPRL1 4063/4885L3MBTL3 682/4885
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 TDP1 3128/4885OPRL1 741/4885L3MBTL3 4878/4885
US-20140134193-A1 SPLICEOSTATIN ANALOGS AND METHODS FOR THEIR PREPARATION SF3B5, SNRPA1, SF3B1 TDP1 2250/4885OPRL1 3261/4885L3MBTL3 943/4885
US-12071424-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 TDP1 276/4885OPRL1 4063/4885L3MBTL3 682/4885
US-12479818-B2 Treatment of fibrosis with IRE1 small molecule inhibitors XBP1, DDIT3, HSP90B1 TDP1 847/4885OPRL1 4082/4885L3MBTL3 2455/4885
US-12258327-B2 5-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 TDP1 2813/4885OPRL1 1798/4885L3MBTL3 3757/4885
US-12098154-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 TDP1 1233/4885OPRL1 3910/4885L3MBTL3 481/4885
US-20240391881-A1 PHARMACEUTICAL USE AND PREPARATION METHOD FOR SUBSTITUTED HETEROARYL PHTHALAZINE DERIVATIVE NLRP3, NLRP1, NOD1 TDP1 2179/4885OPRL1 2321/4885L3MBTL3 4859/4885

“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.