SCHEMBL1037593

SCHEMBL1037593

COC(=O)CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.50
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TSHR P16473 1/20 0.41
NMBR P28336 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13262679 0.93 SIRT2 (0.48) SIRT2NMBR
SCHEMBL2034215 0.88 SIRT2 (0.46) SIRT2
SCHEMBL1038850 0.87 SIRT2 (0.52) SIRT2NMBRKDM4E
SCHEMBL27351346 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL877785 0.85 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL27451583 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
Hydrochloric Acid SCHEMBL8892437 0.84 SIRT2 (0.46) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL9234830 0.83 SIRT2 (0.45) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL8892429 0.83 SIRT2 (0.45) SIRT2CYP11B1CYP11B2NMBR
SCHEMBL30547297 0.83 SIRT2 (0.45) SIRT2CYP11B1CYP11B2NMBRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 US disclosed
CN-116710469-A Linear Apelin receptor agonists 赫帕雷斯治疗有限公司 2023-09-05 CN disclosed
EP-4225773-A1 LINEAR APELIN RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2023-08-16 EP disclosed
WO-2022079428-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed
WO-2022079428-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed
EP-3204408-B1 STABLE GLP-1 BASED GLP-1/GLUCAGON RECEPTOR CO-AGONISTS NOVO NORDISK AS (DK) 2020-05-06 EP disclosed
EP-3204408-B1 STABLE GLP-1 BASED GLP-1/GLUCAGON RECEPTOR CO-AGONISTS NOVO NORDISK AS (DK) 2020-05-06 EP disclosed
EP-3390357-A1 BIARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
EP-0944387-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997027852-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
US-5428160-A Condensation of imidazole derivative with cyano- or halo-substituted benzene derivative containing leaving group esterified with carboxylic or sulfonic acid CIBA-GEIGY CORPORATION (US) 1995-06-27 US disclosed
EP-0165904-B1 SUBSTITUTED BICYCLE COMPOUNDS CIBA-GEIGY AG (CH) 1991-04-10 EP disclosed
US-4889861-A Substituted imidazo[1,5-a]pyridine derivatives and other substituted bicyclic derivatives and their use as aromatase inhibitors CIBA-GEIGY CORP. (US) 1989-12-26 US disclosed
US-4728645-A THROMBOXANE SYNTHETASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1988-03-01 US disclosed
EP-0165904-A2 Substituted bicycle compounds CIBA-GEIGY AG (CH) 1985-12-27 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-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA SIRT2 4152/4885CYP11B1 965/4885CYP11B2 1390/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 SIRT2 1700/4885CYP11B1 738/4885CYP11B2 511/4885

“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.