SCHEMBL2396763

SCHEMBL2396763

C=CCCNC(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
LMNA P02545 2/20 0.59
CHRM2 P08172 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
SMPD1 P17405 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
CASR P41180 1/20 0.59
HTR2B P41595 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
CYP1A2 P05177 1/20 0.59

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
SCHEMBL1357332 1.00 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL1784975 1.00 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL16604868 0.82 CYP3A4 (0.40) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL5471668 0.82 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3881700 0.82 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL24406703 0.82 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL3881699 0.82 CYP3A4 (0.76) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL13342870 0.81 CYP3A4 (0.59) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL8119644 0.81 CYP3A4 (0.53) CYP3A4LMNACHRM2HTR1AADRA2A
SCHEMBL479277 0.81 CYP3A4 (0.53) CYP3A4LMNACHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114828959-B 3- (5-methoxy-1-oxo-isoindolin-2-yl) piperidine-2, 6-dione derivative and application thereof 诺华股份有限公司 2024-04-02 CN disclosed
US-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
EP-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 EP disclosed
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-01-31 US disclosed
US-20220402904-A1 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof NOVARTIS AG (CH) 2022-12-22 US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
CN-114828959-A 3- (5-methoxy-1-oxoisoindolin-2-yl) piperidine-2, 6-dione derivatives and uses thereof 诺华股份有限公司 2022-07-29 CN disclosed
WO-2021124172-A1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2021-06-24 WO disclosed
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
EP-2253614-A1 Inhibitors of IAP Novartis AG (CH) 2010-11-24 EP disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2009140447-A1 IMMUNOMODULATION BY IAP INHIBITORS NOVARTIS AG (CH) 2009-11-19 WO disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK CYP3A4 3171/4885LMNA 4241/4885CHRM2 4852/4885
US-11566022-B2 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof HBZ, ZFX, HBG1 CYP3A4 3888/4885LMNA 1203/4885CHRM2 4757/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK CYP3A4 3171/4885LMNA 4241/4885CHRM2 4852/4885
US-20220402904-A1 3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione Derivatives and Uses thereof HBZ, ZFX, HBG1 CYP3A4 3862/4885LMNA 1213/4885CHRM2 4703/4885
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 CYP3A4 30/4885LMNA 1339/4885CHRM2 3047/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 CYP3A4 2153/4885LMNA 1769/4885CHRM2 2264/4885

“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.