SCHEMBL278248

SCHEMBL278248

CC(C)N1CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL15216582 0.91 CYP2D6 (0.37) POLBCYP2D6ALDH1A1NPSR1LMNA
SCHEMBL17660659 0.86 POLB (0.35) POLBCYP2D6ALDH1A1NPSR1LMNA
SCHEMBL19737742 0.79 POLB (0.36) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL22984346 0.79 CYP2D6 (0.35) CYP2D6
SCHEMBL24648729 0.79 CYP2D6 (0.32) POLBCYP2D6
SCHEMBL17244107 0.77 KMT2A (0.42) POLBALDH1A1NPSR1LMNAHTT
SCHEMBL16809743 0.77 HRH3 (0.44) POLBTSHR
SCHEMBL15960697 0.76 CYP2D6 (0.39) POLBCYP2D6ALDH1A1LMNAKMT2A
SCHEMBL10833491 0.76 POLB (0.41) POLBCYP2D6ALDH1A1NPSR1LMNA
SCHEMBL24648639 0.75 SMN1; SMN2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2024-07-11 US disclosed
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-12-05 US disclosed
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-12-05 US disclosed
EP-3621615-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-11-15 EP disclosed
US-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-06-08 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives F. HOFFMAN-LA ROCHE AG (CH) 2007-03-29 US disclosed
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives F. HOFFMAN-LA ROCHE AG (CH) 2007-03-29 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 WO disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones THE PROCTER & GAMBLE COMPANY 2004-05-20 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 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 (12 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP POLB 971/4885CYP2D6 3159/4885ALDH1A1 4012/4885
US-20040097560-A1 N-alkyl-4-methyleneamino-3-hydroxy-2-pyridones IL17A, CYP51A1, CD4 POLB 429/4885CYP2D6 14/4885ALDH1A1 224/4885
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX POLB 4606/4885CYP2D6 3761/4885ALDH1A1 1882/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 POLB 3909/4885CYP2D6 2804/4885ALDH1A1 682/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885CYP2D6 4112/4885ALDH1A1 4827/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP POLB 112/4885CYP2D6 505/4885ALDH1A1 1116/4885
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof AIFM1, BAD, IRAK1 POLB 4815/4885CYP2D6 4218/4885ALDH1A1 1233/4885
US-20070072888-A1 Indol-3-yl-carbonyl-azaspiro derivatives AVPR1A, AVPR2, AVPR1B POLB 4411/4885CYP2D6 943/4885ALDH1A1 751/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP POLB 1458/4885CYP2D6 2438/4885ALDH1A1 2742/4885
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF AIFM1, BAD, IRAK1 POLB 4815/4885CYP2D6 4218/4885ALDH1A1 1233/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE POLB 2140/4885CYP2D6 4663/4885ALDH1A1 2185/4885
US-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, CASP1, BAX POLB 4606/4885CYP2D6 3761/4885ALDH1A1 1882/4885

“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.