SCHEMBL1680442

SCHEMBL1680442

CC(C)Cc1cccc(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.48
ENPP2 Q13822 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
NOS1 P29475 4/20 0.47
NOS2 P35228 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NOS3 P29474 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
TAAR1 Q96RJ0 4/20 0.45
SLC6A2 P23975 2/20 0.45
MAOA P21397 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 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
PRMT6 Q96LA8 1/20 0.44

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 SCHEMBL921011 0.98 NOS1 (0.49) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL8539519 0.89 GABRA1 (0.50) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL14478302 0.87 PNMT (0.62) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL28091842 0.85 HTR6 (0.43) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL9583996 0.83 TAAR1 (0.57) PNMTLOXL2NOS1SMN1; SMN2TAAR1
SCHEMBL282540 0.81 EPHX1 (0.50) LOXL2NFKB1TAAR1SLC6A2SLC6A3
SCHEMBL10422276 0.81 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL36008 0.81 LOXL2 (0.71) PNMTENPP2LOXL2NOS1NOS2
SCHEMBL4073253 0.80 TAAR1 (0.44) PNMTTAAR1SLC6A2MAOASLC6A4
SCHEMBL27851886 0.80 ENPP2 (0.47) PNMTENPP2LOXL2NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
WO-2022040173-A1 TRANSGLUTAMINASE-MEDIATED CONJUGATION Tallac Therapeutics, Inc. (US) 2022-02-24 WO disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS UNIVERSITY OF KANSAS (US) 2022-01-06 US disclosed
US-11130736-B2 Human TLR8-selective agonists UNIVERSITY OF KANSAS (US) 2021-09-28 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
WO-2018119177-A1 DIMERS OF COVALENT NFKB INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2018-06-28 WO disclosed
US-9839219-B2 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2017-12-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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 (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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 PNMT 1739/4885ENPP2 524/4885LOXL2 2209/4885
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 PNMT 3784/4885ENPP2 566/4885LOXL2 745/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 PNMT 1739/4885ENPP2 524/4885LOXL2 2209/4885
US-11130736-B2 Human TLR8-selective agonists TLR7, TLR8, TLR9 PNMT 4710/4885ENPP2 714/4885LOXL2 2014/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PNMT 2872/4885ENPP2 3469/4885LOXL2 1401/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 PNMT 1293/4885ENPP2 213/4885LOXL2 2641/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 PNMT 1280/4885ENPP2 222/4885LOXL2 2623/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 PNMT 1345/4885ENPP2 363/4885LOXL2 882/4885
US-20220002251-A1 HUMAN TLR8-SELECTIVE AGONISTS TLR7, TLR8, TLR9 PNMT 4710/4885ENPP2 714/4885LOXL2 2014/4885

“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.