SCHEMBL15077043

SCHEMBL15077043

CC(C)c1ccccc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42
CARM1 Q86X55 2/20 0.41
PRMT1 Q99873 2/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 2/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR1A P08908 1/20 0.39
NISCH Q9Y2I1 2/20 0.39
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 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
SCHEMBL17972910 0.98 CARM1 (0.43) PDE4APDE3BPDE3APDE10ACARM1
SCHEMBL22426537 0.98 CARM1 (0.43) PDE4APDE3BPDE3APDE10ACARM1
SCHEMBL22871103 0.92 ADRA2A (0.44) PDE3BPDE3APDE10AADRB2ADRB1
SCHEMBL10267024 0.84 HRH1 (0.57) ADRA2AADRA2BADRA2CHTR1ANISCH
SCHEMBL3126948 0.84 HTR1A (0.43) PDE4APDE3BPDE3APDE10AADRB2
SCHEMBL798745 0.84 KAT2B (0.52) PDE4APDE3BPDE3APDE10AADRB2
SCHEMBL23057958 0.83 KDM4E (0.48) PDE4ACARM1PRMT1NISCHALDH1A1
SCHEMBL7888500 0.82 SLC6A2 (0.50) HTR1A
SCHEMBL22435586 0.80 PDE4A (0.40) PDE4ACARM1PRMT1MCHR1ADRA2A
SCHEMBL24498230 0.80 NISCH (0.40) PDE3BPDE3APDE10AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 US disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 US disclosed
US-11377422-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2022-07-05 US disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 US disclosed
EP-3943488-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2022-01-26 EP disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-11 US disclosed
US-20210061763-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE NOCION THERAPEUTICS INC (US) 2021-03-04 US disclosed
US-10842798-B1 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2020-11-24 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 US disclosed
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE Nocion Therapeutics, Inc. 2020-09-17 US disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 US disclosed
US-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 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 (14 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 PDE4A 248/4885PDE3B 78/4885PDE3A 75/4885
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 PDE4A 1770/4885PDE3B 1005/4885PDE3A 1405/4885
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF RIPK1, RIPK4, RIPK3 PDE4A 1076/4885PDE3B 2108/4885PDE3A 1862/4885
US-11377422-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 PDE4A 1770/4885PDE3B 1005/4885PDE3A 1405/4885
US-20210070734-A1 ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPA1, TRPV2 PDE4A 803/4885PDE3B 594/4885PDE3A 863/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS PDE4A 860/4885PDE3B 1154/4885PDE3A 1000/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 PDE4A 2139/4885PDE3B 3393/4885PDE3A 2688/4885
US-10842798-B1 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 PDE4A 1770/4885PDE3B 1005/4885PDE3A 1405/4885
US-20210061763-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 PDE4A 1770/4885PDE3B 1005/4885PDE3A 1405/4885
US-20200290965-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPV5 PDE4A 1770/4885PDE3B 1005/4885PDE3A 1405/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS PDE4A 860/4885PDE3B 1154/4885PDE3A 1000/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 PDE4A 849/4885PDE3B 785/4885PDE3A 1066/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS PDE4A 860/4885PDE3B 1154/4885PDE3A 1000/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 PDE4A 803/4885PDE3B 594/4885PDE3A 863/4885

“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.