SCHEMBL10246718

SCHEMBL10246718

CC(C)(C)Nc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 6/20 0.42
PSIP1 O75475 1/20 0.42
ABAT P80404 1/20 0.41
PLG P00747 3/20 0.40
KLK1 P06870 3/20 0.40
KLK6 Q92876 3/20 0.40
KLKB1 P03952 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
TPSAB1 Q15661 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL17615519 0.94 HRH3 (0.56) HRH3LOXL2PSIP1ABATPLG
SCHEMBL25199389 0.94 HRH3 (0.39) HRH3LOXL2PSIP1ABATPLG
SCHEMBL19088282 0.83 TAAR1 (0.56) LOXL2TAAR1NOS3NOS1NOS2
SCHEMBL6248799 0.81 HPGD (0.45) TAAR1HDAC3HDAC6
SCHEMBL13884337 0.81 LMNA (0.48)
SCHEMBL4603900 0.80 IDO1 (0.39)
SCHEMBL27112966 0.79 HTR6 (0.46) LOXL2NOS3NOS1NOS2
SCHEMBL27061568 0.79 HRH3 (0.34) HRH3LOXL2PSIP1ABATPLG
SCHEMBL23053016 0.77 LOXL2 (0.46) HRH3LOXL2ABATTAAR1TPSAB1
SCHEMBL12883524 0.77 LPL (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION ARISAN THERAPEUTICS INC. (US) 2024-07-18 US disclosed
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SUPERTRANS MEDICAL LTD (IL) 2024-02-29 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ARISAN THERAPEUTICS INC. (US) 2023-01-10 US disclosed
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ARISAN THERAPEUTICS, INC. (US) 2021-06-10 US disclosed
WO-2021061898-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS NOVARTIS AG (CH) 2021-04-01 WO disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-9988420-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9434760-B2 Prolinamide derivatives as thrombin inhibitors, preparation method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-09-06 US disclosed
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-11-07 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (9 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-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP HRH3 3367/4885LOXL2 4395/4885PSIP1 1394/4885
US-20130296245-A1 PROLINAMIADE DERIVATIVES AS THROMBIN INHIBITOR, PREPRARATION METHOD AND APPLICATION THEREOF PREP, TFPI, PEPD HRH3 2208/4885LOXL2 1686/4885PSIP1 1590/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP HRH3 3367/4885LOXL2 4395/4885PSIP1 1394/4885
US-20210171521-A1 ENANTIOMERICALLY PURE ADAMANTANE CARBOXAMIDES FOR THE TREATMENT OF FILOVIRUS INFECTION ADRB3, FPR3, RTN3 HRH3 54/4885LOXL2 2678/4885PSIP1 4750/4885
US-20240238265-A1 ADAMANTANE AMIDES AND THIOAMIDES FOR THE TREATMENT OF EBOLAVIRUS INFECTION IFNAR1, NR4A3, NR0B2 HRH3 774/4885LOXL2 4204/4885PSIP1 4763/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 HRH3 4796/4885LOXL2 3550/4885PSIP1 1208/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 HRH3 3143/4885LOXL2 3899/4885PSIP1 3464/4885
US-11548893-B2 Enantiomerically pure adamantane carboxamides for the treatment of filovirus infection ADRB3, FPR3, RTN3 HRH3 54/4885LOXL2 2678/4885PSIP1 4750/4885
US-20240066135-A1 DRUG CONJUGATES AND USES THEREOF SLC7A1, ABCB11, SLC1A5 HRH3 1165/4885LOXL2 3259/4885PSIP1 3905/4885

“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.