SCHEMBL58041

SCHEMBL58041

CCCCCCN(C)[C]=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.52
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
GGPS1 O95749 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
EPHX2 P34913 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GBA1 P04062 1/20 0.34

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
SCHEMBL28477768 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL28474851 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL1061735 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL303287 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL303396 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL77299 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9660374 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL303800 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL6152967 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL303314 1.00 DNM1 (0.52) DNM1S1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155749-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US claimed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US claimed
EP-3245199-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2017-11-22 EP claimed
WO-2016113167-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO claimed
EP-1027351-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 2000-08-16 EP claimed
WO-1999021860-B1 PHENANTHROLINE DERIVATIVES FIBROGEN INC (US) 1999-08-05 WO claimed
US-5916898-A ANTIFIBROPROLIFERTIVE, ENZYME INHIBITORS OF PYROLYL 4-HYDROXYLASE, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-06-29 US claimed
WO-1999021860-A1 PHENANTHROLINE DERIVATIVES FIBROGEN, INC. (US) 1999-05-06 WO claimed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US claimed
EP-0299683-A2 Heterocyclic olefinic compounds and their use as aromatase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP claimed
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-113631661-B Coloring composition, compound, color filter and display device 住友化学株式会社 2023-11-07 CN disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US disclosed
EP-0299683-A2 Heterocyclic olefinic compounds and their use as aromatase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP disclosed
EP-0275312-A1 THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-07-27 EP 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 (2 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X DNM1 3134/4885S1PR2 2514/4885S1PR1 1666/4885
US-10155749-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases TPSD1, TPSAB1, TMSB4X DNM1 3134/4885S1PR2 2514/4885S1PR1 1666/4885

“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.