SCHEMBL5960481

SCHEMBL5960481

CC(c1ccccn1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
KCNA5 P22460 6/20 0.43
KCNH2 Q12809 1/20 0.43
KCNE1 P15382 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CHRM2 P08172 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ALDH1A1 P00352 2/20 0.39
IDH1 O75874 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL12725114 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL5960502 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21760517 0.83 KCNA5 (0.44) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21132105 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL23765385 0.81 CXCR4 (0.39) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL22275768 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12346333 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL9947017 0.81 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL24827566 0.80 KCNA5 (0.46) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12142306 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests FMC CORPORATION (US) 2023-02-14 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
CN-100447146-C Complexes of rhodium and iridium COVION ORGANIC SEMICONDUCTORS (DE) 2008-12-31 CN disclosed
CN-1531541-A Rhodium and iridium complexes �����л��뵼�����޹�˾ 2004-09-22 CN 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SLC6A2 942/4885SLC6A4 603/4885SLC6A3 553/4885
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SLC6A2 4714/4885SLC6A4 4637/4885SLC6A3 4243/4885
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 SLC6A2 2957/4885SLC6A4 2147/4885SLC6A3 2950/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 SLC6A2 4742/4885SLC6A4 4710/4885SLC6A3 4709/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 SLC6A2 4742/4885SLC6A4 4710/4885SLC6A3 4709/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 SLC6A2 2458/4885SLC6A4 2236/4885SLC6A3 1104/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A SLC6A2 1398/4885SLC6A4 2497/4885SLC6A3 2641/4885
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests RDX, RPS4X, CYP4X1 SLC6A2 2957/4885SLC6A4 2147/4885SLC6A3 2950/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS SLC6A2 4853/4885SLC6A4 4876/4885SLC6A3 4779/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 SLC6A2 942/4885SLC6A4 603/4885SLC6A3 553/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK SLC6A2 2043/4885SLC6A4 1882/4885SLC6A3 1149/4885

“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.