SCHEMBL179676

SCHEMBL179676

CC(=O)N(C)CCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.48
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 2/20 0.38
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL15223870 0.92 CA12 (0.55) CHRM1CA12CA2CA3CA4
SCHEMBL7942491 0.91 CHRM1 (0.48) CHRM1MAPTCHRM2CHRM4CHRM5
SCHEMBL11240727 0.83 CHRM1 (0.44) CHRM1MAPTCHRM2CHRM4CHRM5
SCHEMBL20756157 0.80 CHRM1 (0.41) CHRM1CA12CA9MAPTCHRM2
SCHEMBL2480663 0.80
SCHEMBL14076878 0.79 CHRM1 (0.41) CHRM1CA12CA2CA9CHRM2
SCHEMBL8854824 0.79 CHRM1 (0.44) CHRM1MAPTCHRM2CHRM4CHRM5
SCHEMBL24773596 0.78 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL15223875 0.78 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL24660237 0.78 CHRM1 (0.39) CHRM1CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
WO-2023250439-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
WO-2023223317-A1 SELF-ASSEMBLING DENDRIMERS AND ANTIBACTERIAL USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-11-23 WO disclosed
WO-2023225336-A1 MET BCL-XL INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
EP-3392252-B1 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF LIBERTAS BIO INC (US) 2023-10-04 EP disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
WO-2023083330-A1 DRAK2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 百极优棠(广东)医药科技有限公司 2023-05-19 WO disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
WO-2023004266-A1 IMMUNOCONJUGATES AND METHODS RECURIUM IP HOLDINGS, LLC (US) 2023-01-26 WO disclosed
WO-2022125989-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SCRIPPS RESEARCH INSTITUTE, THE (US) 2022-06-16 WO disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 US disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility MILLENNIUM PHARMACEUTICALS, INC. 2007-01-25 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-5112920-A Amine containing monomers THE DOW CHEMICAL COMPANY (US) 1992-05-12 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CHRM1 4876/4885CA12 2406/4885CA2 2701/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B CHRM1 346/4885CA12 4497/4885CA2 1740/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CHRM1 4851/4885CA12 4708/4885CA2 4553/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CHRM1 142/4885CA12 4569/4885CA2 3978/4885
US-20070021472-A1 N-(5-bromo-2-pyridinyl)-(2-4-[(2-aminosulfonyl)phenyl]phenylcarbonylamino)phenylcarboxamide; potent and highly selective inhibitors; coagulation disorders; antithrombotic agents; diagnostic reagents; good bioavailability and/or solubility F2, TFPI, PLG CHRM1 4451/4885CA12 2610/4885CA2 1552/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CHRM1 4810/4885CA12 1955/4885CA2 1172/4885

“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.