SCHEMBL8294114

SCHEMBL8294114

CC(C)CCc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
SLC6A4 P31645 3/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A3 Q01959 2/20 0.60
CYP2D6 P10635 2/20 0.57
CALM1 P0DP23 2/20 0.53
CYP3A4 P08684 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL987525 0.86 TAAR1 (0.71) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL29664514 0.86 TAAR1 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL28123545 0.86 TAAR1 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL2485767 0.86 TAAR1 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL2995202 0.86 TAAR1 (0.45) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL9959103 0.85 TAAR1 (0.44) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL11854830 0.84 TAAR1 (0.51) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL180328 0.83 TAAR1 (0.43) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL108087 0.82 TAAR1 (0.77) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
Safrazine SCHEMBL437129 0.82 TAAR1 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-11-21 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
US-10946000-B2 Method for treating cancer with combination therapy REDHILL BIOPHARMA LTD. (IL) 2021-03-16 US disclosed
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE CANGET BIOTEKPHARMA 2020-07-23 US disclosed
US-20200223826-A1 Glucose-6-Phosphate Dehydrogenase (G6PD)-Modulating Agents And Methods Of Treating G6PD Deficiency THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-07-16 US disclosed
US-9856246-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2018-01-02 US disclosed
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 US disclosed
US-20170129881-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-05-11 US disclosed
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD. (IL) 2017-04-06 US disclosed
US-9585875-B2 TRPM8 antagonists DOMPÉ FARMACEUTICI S.P.A. (IT) 2017-03-07 US disclosed
US-20140371276-A1 TRPM8 ANTAGONISTS DOMPÉ FARMACEUTICI S.P.A. (IT) 2014-12-18 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-7342026-B2 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2008-03-11 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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 (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-11820767-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 TAAR1 816/4885SLC6A4 4500/4885SLC6A2 3665/4885
US-20170129881-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 TAAR1 376/4885SLC6A4 791/4885SLC6A2 1224/4885
US-20200231596-A1 MATTER OF COMPOSITION, SYNTHESIS, FORMULATION AND APPLICATION OF FL118 PLATFORM POSITIONS 7 AND 9-DERIVED ANALOGUES FOR TREATMENT OF HUMAN DISEASE TP53, BRCA1, MET TAAR1 2545/4885SLC6A4 4557/4885SLC6A2 4691/4885
US-20140371276-A1 TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPV1 TAAR1 401/4885SLC6A4 816/4885SLC6A2 1079/4885
US-20200223826-A1 Glucose-6-Phosphate Dehydrogenase (G6PD)-Modulating Agents And Methods Of Treating G6PD Deficiency G6PD, DPYD, G6PC1 TAAR1 4794/4885SLC6A4 3617/4885SLC6A2 3101/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G TAAR1 4274/4885SLC6A4 4539/4885SLC6A2 4169/4885
US-10946000-B2 Method for treating cancer with combination therapy TPMT, KRAS, SDHA TAAR1 2003/4885SLC6A4 571/4885SLC6A2 201/4885
US-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C TAAR1 97/4885SLC6A4 396/4885SLC6A2 19/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP TAAR1 1464/4885SLC6A4 4212/4885SLC6A2 4376/4885
US-20170095460-A1 COMBINATION THERAPIES FOR TREATING CANCER KRAS, ACE, TPMT TAAR1 2780/4885SLC6A4 615/4885SLC6A2 323/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 TAAR1 305/4885SLC6A4 441/4885SLC6A2 424/4885

“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.