SCHEMBL4565700

SCHEMBL4565700

CC(C)c1ccc2c(c1)CCNC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.55
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
PNMT P11086 6/20 0.48
CD44 P16070 1/20 0.48
MAOB P27338 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

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
Hydrochloric Acid SCHEMBL1265678 0.98 ASIC3 (0.53) ASIC3DRD2DRD3PNMTCD44
SCHEMBL7921103 0.93 PNMT (0.55) DRD2DRD3PNMTCD44MAOB
SCHEMBL19185632 0.89 ASIC3 (0.43) ASIC3DRD2DRD3PNMTCD44
SCHEMBL20892189 0.89 HTR2C (0.52) ASIC3DRD2PNMTADRA2AADRA2B
SCHEMBL3243076 0.86 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL3055999 0.86 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL18717400 0.86 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL3247113 0.86 ASIC3 (0.51) ASIC3DRD2DRD3PNMTCD44
SCHEMBL17585071 0.85 ASIC3 (0.55) ASIC3DRD2DRD3PNMTCD44
SCHEMBL2736425 0.84 CHRNB2 (0.42) ASIC3PNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365594-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023205507-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-10-26 WO disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
US-7879876-B2 matrix metalloproteinase inhibitors such as N-{1-[(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)methyl]-3-phenylpropyl}-N-hydroxy formamide; prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular disorders, neurodegenerative diseases, cancer, respiratory system disorders and fibrosis MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-05-06 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 US disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed
WO-2007048788-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2007-05-03 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 (8 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ASIC3 3048/4885DRD2 4223/4885DRD3 3578/4885
US-20230365594-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 ASIC3 4271/4885DRD2 2886/4885DRD3 3015/4885
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 ASIC3 3479/4885DRD2 4295/4885DRD3 3666/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ASIC3 505/4885DRD2 4505/4885DRD3 4541/4885
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases MMP12, STS, MMP14 ASIC3 2312/4885DRD2 4790/4885DRD3 4779/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 ASIC3 4614/4885DRD2 4688/4885DRD3 4662/4885
US-20100113488-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F5 ASIC3 4284/4885DRD2 1117/4885DRD3 659/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 ASIC3 2695/4885DRD2 1120/4885DRD3 931/4885

“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.