SCHEMBL21673246

SCHEMBL21673246

CN1CC2(CNC(=O)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
CD274 Q9NZQ7 12/20 0.34
PDCD1 Q15116 10/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
CRBN Q96SW2 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL16565923 0.84 CYP11B1 (0.46) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL17166457 0.81 TSHR (0.41) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL25051581 0.81 TSHR (0.41) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL25051602 0.81 TSHR (0.41) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL25975368 0.79 CYP11B1 (0.35) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL8008730 0.79 CYP11B1 (0.48) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL27054569 0.79 CRBN (0.37) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL21506992 0.79 CD274 (0.40) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL23260104 0.78 SMN1; SMN2 (0.39) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1
SCHEMBL4289914 0.78 SMN1; SMN2 (0.50) SMN1; SMN2CYP11B1CYP11B2OPRM1OPRL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
EP-4310084-A1 PYRIDOPYRIMIDINE-BASED COMPOUND AND APPLICATION THEREOF Jinan University (CN) 2024-01-24 EP disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2023125486-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2023-07-06 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 US disclosed
EP-3863713-B1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-01-25 EP disclosed
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-12-16 US disclosed
WO-2021159993-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR ASSOCIATED KINASE (IRAK) /FMS-LIKE RECEPTOR TYROSINE KINASE (FLT3), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2021-08-19 WO disclosed
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-15 US disclosed
WO-2020025030-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 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 (3 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-11034696-B2 Compounds for inhibiting LRRK2 kinase activity LRRK2, BRSK2, MAPKAPK2 SMN1; SMN2 285/4885CYP11B1 4166/4885CYP11B2 3678/4885
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT SMN1; SMN2 1633/4885CYP11B1 583/4885CYP11B2 330/4885
US-20210387963-A1 PHENYLTETRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 SMN1; SMN2 4619/4885CYP11B1 976/4885CYP11B2 1128/4885

“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.