SCHEMBL268390

SCHEMBL268390

CC(N)Cc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 3/20 0.45
TAAR1 Q96RJ0 2/20 0.45
MAOA P21397 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP2A6 P11509 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
DPP4 P27487 2/20 0.43
DPP7 Q9UHL4 1/20 0.43
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42

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
SCHEMBL3813108 1.00 IDO1 (0.52) IDO1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL4669556 1.00 IDO1 (0.52) IDO1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL17407618 0.85 IDO1 (0.49) IDO1HTR2AHTR2CHTR2BSLC6A2
SCHEMBL320896 0.84 IDO1 (0.50) IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL29049552 0.84 IDO1 (0.55) IDO1SLC6A2SLC6A4DPP4DPP7
SCHEMBL267012 0.81 SLC6A2 (0.56) IDO1SLC6A2SLC6A4SLC6A3DPP4
SCHEMBL15160740 0.81 IDO1 (0.47) IDO1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL30184157 0.81 IDO1 (0.47) IDO1SLC6A2SLC6A4SLC6A3
SCHEMBL2426168 0.81 IDO1 (0.47) IDO1SLC6A2SLC6A4SLC6A3MAOA
SCHEMBL28718967 0.81 SLC6A2 (0.45) HTR2AHTR2CHTR2BSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829558-B1 METHOD FOR TREATING EPILEPSY XENON PHARMACEUTICALS INC (CA) 2024-07-03 EP disclosed
CN-116768737-A Preparation method of interface passivation material and perovskite passivation layer 武汉理工大学 2023-09-19 CN disclosed
EP-3829558-A1 METHOD FOR TREATING EPILEPSY Xenon Pharmaceuticals Inc. (CA) 2021-06-09 EP disclosed
CN-112930175-A Method for treating epilepsy 泽农医药公司 2021-06-08 CN disclosed
CN-112830879-A Preparation method of cinacalcet hydrochloride 北京泰德制药股份有限公司 2021-05-25 CN disclosed
US-20200030260-A1 METHOD FOR TREATING EPILEPSY XENON PHARMACEUTICALS INC. (CA) 2020-01-30 US disclosed
WO-2020023923-A1 METHOD FOR TREATING EPILEPSY XENON PHARMACEUTICALS INC. (CA) 2020-01-30 WO disclosed
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-7169592-B2 Producing optically active amino compounds KANEKA CORPORATION (JP) 2007-01-30 US disclosed
EP-0857790-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORP (JP) 2005-08-17 EP disclosed
US-20020192786-A1 Producing optically active amino compounds KANEKA CORPORATION 2002-12-19 US disclosed
US-6346402-B1 ACTS ON OPTICALLY ACTIVE (S)-ALPHA-PHENETHYLAMINE AND PYRUVIC ACID TO FORM ACETOPHENONE AND ALANINE; FOR PRODUCING CHEMICAL INTERMEDIATES OF DRUGS AND AGRICULTURAL CHEMICALS KANEKA CORPORATION (JP) 2002-02-12 US disclosed
US-6344351-B2 USING (R)-FORM-SPECIFIC TRANSAMINASE WITH KETONE AMINO ACCEPTOR AND AMINO DONOR; ANTIDIABETES AND ANTIOBESITY AGENTS KANEKA CORPORATION (JP) 2002-02-05 US disclosed
US-20010031487-A1 Process for producing optically active amino compounds KANEKA CORPORATION 2001-10-18 US disclosed
US-6221638-B1 BY STEREOSELECTIVELY CARRYING OUT AMINO GROUP TRANSFER BY ACTION OF AN (R)-FORM-SPECIFIC TRANSAMINASE IN THE CO-PRESENCE OF A KETONE (AMINO ACCEPTOR) AND AMINO COMPOUND (AMINO DONOR); YIELDS AMINO COMPOUNDS HAIVNG ARYL GROUP AT THE 1-POSITION KANEKA CORPORATION (JP) 2001-04-24 US disclosed
EP-1045025-A1 (S)-alpha-PHENETHYLAMINE : PYRUVATE TRANSAMINASE KANEKA CORPORATION (JP) 2000-10-18 EP disclosed
EP-0987332-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS Kaneka Corporation (JP) 2000-03-22 EP disclosed
EP-0857790-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINO COMPOUNDS KANEKA CORPORATION (JP) 1998-08-12 EP 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 (4 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP IDO1 1991/4885HTR2A 4707/4885HTR2C 4758/4885
US-20200030260-A1 METHOD FOR TREATING EPILEPSY PNMT, HTR5A, TPH1 IDO1 434/4885HTR2A 9/4885HTR2C 16/4885
US-20020192786-A1 Producing optically active amino compounds TKT, GOT1, AADAT IDO1 1448/4885HTR2A 3443/4885HTR2C 4266/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP IDO1 2053/4885HTR2A 4699/4885HTR2C 4753/4885

“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.