SCHEMBL2741663

SCHEMBL2741663

CC(C)N1CCc2ccccc2CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.57
DRD2 P14416 3/20 0.52
DRD1 P21728 3/20 0.52
DRD4 P21917 3/20 0.52
DRD5 P21918 3/20 0.52
DRD3 P35462 3/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
KCNH2 Q12809 1/20 0.50
CYP2D6 P10635 3/20 0.48
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CHRNA7 P36544 1/20 0.45
OGA O60502 1/20 0.44
NOTUM Q6P988 1/20 0.42
ACE P12821 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL30561536 0.89 MAOA (0.57) HRH3DRD2DRD1DRD4DRD5
SCHEMBL1083820 0.89 MAOA (0.57) HRH3DRD2DRD1DRD4DRD5
SCHEMBL25043598 0.82 DRD2 (0.48) HRH3DRD2DRD1DRD4DRD5
SCHEMBL3719812 0.80 KDM4E (0.54) HRH3DRD2DRD1DRD4DRD5
SCHEMBL8259450 0.77 HRH3 (0.50) HRH3MAOAMAOBKCNH2ADRA1A
SCHEMBL18033537 0.77 HRH3 (0.50) HRH3KCNH2ALDH1A1LMNACHRNA7
SCHEMBL22879105 0.77 MAOA (0.53) HRH3DRD2DRD1DRD4DRD5
SCHEMBL12230334 0.77 MAPT (0.55) HRH3MAOAMAOBCYP2D6TSHR
SCHEMBL30589043 0.77 MAOA (0.53) HRH3DRD2DRD1DRD4DRD5
SCHEMBL12533128 0.77 HRH3 (0.50) HRH3DRD1DRD5MAOAMAOB

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 51 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-12024507-B2 Compounds as GLP-1R agonists TERNS PHARMACEUTICALS, INC. (US) 2024-07-02 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
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2024-06-25 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-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-06-08 US disclosed
US-20230159512-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230159512-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20120171126-A1 NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS COMPOSITIONS AND USES THEREOF PURAKKATTLE BIJU J (US) 2012-07-05 US disclosed
US-20120171126-A1 NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS COMPOSITIONS AND USES THEREOF PURAKKATTLE BIJU J (US) 2012-07-05 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2011-07-28 US disclosed
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2011-07-28 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use SCHERING CORPORATION 2011-06-02 US disclosed
US-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use SCHERING CORPORATION 2011-06-02 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 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 (11 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-20120171126-A1 NOVEL [3,2-c] HETEROARYL STEROIDS AS GLUCOCORTICOID RECEPTOR AGONISTS COMPOSITIONS AND USES THEREOF NR3C1, NR3C2, MC2R HRH3 87/4885DRD2 1258/4885DRD1 1592/4885
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 HRH3 561/4885DRD2 2301/4885DRD1 1897/4885
US-12024507-B2 Compounds as GLP-1R agonists GLP1R, GIPR, GCGR HRH3 1573/4885DRD2 3615/4885DRD1 3310/4885
US-12018017-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX HRH3 4103/4885DRD2 4806/4885DRD1 4521/4885
US-20230159512-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR HRH3 1519/4885DRD2 3607/4885DRD1 3327/4885
US-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use GPR119, OXER1, INSR HRH3 120/4885DRD2 628/4885DRD1 613/4885
US-11834436-B2 Tetrazole containing apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof AIFM1, BAD, IRAK1 HRH3 4358/4885DRD2 4874/4885DRD1 4705/4885
US-20240228464-A9 TETRAZOLE CONTAINING APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF AIFM1, BAD, IRAK1 HRH3 4358/4885DRD2 4874/4885DRD1 4705/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885DRD2 1993/4885DRD1 1838/4885
US-20110182828-A1 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS NR3C1, MC2R, NR3C2 HRH3 263/4885DRD2 1146/4885DRD1 1087/4885
US-20230174515-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF BAD, CASP1, BAX HRH3 4103/4885DRD2 4806/4885DRD1 4521/4885

“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.