SCHEMBL13428642

SCHEMBL13428642

CC(C)c1ccnc(N2CCNCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.55
PLD1 Q13393 1/20 0.51
HRH4 Q9H3N8 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
TLR9 Q9NR96 2/20 0.47
TLR8 Q9NR97 2/20 0.47
TLR7 Q9NYK1 2/20 0.47
DYRK1A Q13627 1/20 0.47
NMT1 P30419 3/20 0.44
PANK3 Q9H999 1/20 0.44
CYP1A2 P05177 1/20 0.43
KARS1 Q15046 1/20 0.42
MAOB P27338 1/20 0.41
HTR6 P50406 1/20 0.41
AOC3 Q16853 1/20 0.41

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 SCHEMBL31061321 0.98 ADRB1 (0.54) ADRB1PLD1HRH4HRH3TLR9
SCHEMBL16019498 0.88 PANK3 (0.48) ADRB1HRH4HRH3TLR9TLR8
SCHEMBL18574083 0.88 ADRB1 (0.52) ADRB1PLD1HRH4HRH3TLR9
SCHEMBL8251254 0.88 ADRB1 (0.52) ADRB1PLD1HRH4HRH3TLR9
SCHEMBL13536716 0.87 ADRB1 (0.59) ADRB1PLD1HRH4HRH3TLR9
SCHEMBL31061236 0.87 ADRB1 (0.59) ADRB1PLD1HRH4HRH3TLR9
SCHEMBL2737324 0.85 HRH4 (0.51) ADRB1HRH4PANK3
SCHEMBL4547903 0.85 HRH4 (0.47) ADRB1HRH4PANK3
SCHEMBL11951622 0.83 HRH4 (0.54) HRH4NMT1PANK3
SCHEMBL18500387 0.83 ADRB1 (0.51) ADRB1PLD1HRH4HRH3TLR9

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
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2023-06-08 US disclosed
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-16 US disclosed
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 US disclosed
WO-2022189810-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2022-09-15 WO disclosed
EP-3523292-B1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-15 EP disclosed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US disclosed
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2021-04-08 US disclosed
US-20210038611-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2021-02-11 US disclosed
US-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-02-09 US disclosed
US-20200399252-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-12-24 US disclosed
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives GRUENENTHAL GMBH (DE) 2020-11-10 US disclosed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 US disclosed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 WO disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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 (13 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-20230174520-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 ADRB1 14/4885PLD1 1919/4885HRH4 1243/4885
US-10913730-B2 Heteroaryl compounds and their use as Mer inhibitors MERTK, RET, ERBB4 ADRB1 198/4885PLD1 3285/4885HRH4 140/4885
US-20170197947-A1 3-((Hetero-)Aryl)-Alkyl-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, ARRB1 ADRB1 14/4885PLD1 1919/4885HRH4 1243/4885
US-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ADRB1 4581/4885PLD1 2848/4885HRH4 3580/4885
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 ADRB1 198/4885PLD1 3285/4885HRH4 140/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 ADRB1 174/4885PLD1 3955/4885HRH4 176/4885
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK ADRB1 3093/4885PLD1 3490/4885HRH4 4883/4885
US-20200399252-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 ADRB1 14/4885PLD1 1919/4885HRH4 1243/4885
US-20210101872-A1 C-ABL TYROSINE KINASE INHIBITORY COMPOUND EMBODIMENTS AND METHODS OF MAKING AND USING THE SAME ABL1, ABL2, MUSK ADRB1 3093/4885PLD1 3490/4885HRH4 4883/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB ADRB1 4581/4885PLD1 2848/4885HRH4 3580/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA ADRB1 3047/4885PLD1 1491/4885HRH4 1871/4885
US-10829480-B2 3-((hetero-)aryl)-alkyl-8-amino-2-oxo-l,3-diaza-spiro-[4.5]-decane derivatives OPRD1, OPRK1, OPRL1 ADRB1 16/4885PLD1 1920/4885HRH4 1353/4885
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 ADRB1 2122/4885PLD1 1847/4885HRH4 2093/4885

“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.