SCHEMBL5603377

SCHEMBL5603377

c1ccc(Cc2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.42
CNR2 P34972 4/20 0.42
CNR1 P21554 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
MGLL Q99685 5/20 0.39
DAGLA Q9Y4D2 1/20 0.39
CALM1 P0DP23 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL2529821 0.84 TRPV1 (0.43) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL1121836 0.83 NOTUM (0.35) CNR2DAGLATSHRL3MBTL1
SCHEMBL18982574 0.81 NOTUM (0.34)
SCHEMBL653830 0.81 CYP11B1 (0.33) TSHRRAB9AL3MBTL1
SCHEMBL752388 0.81 POLB (0.33) TRPV1CNR2CNR1DAGLATSHR
SCHEMBL4400123 0.81 CNR2 (0.44) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4408980 0.81 HDAC6 (0.44) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL4411347 0.81 TRPV1 (0.47) TRPV1CNR2CNR1HDAC6MGLL
SCHEMBL6046474 0.81 KDM4E (0.35) TRPV1CNR2CNR1
SCHEMBL3141812 0.80 HSPA5 (0.42) CNR2MGLLTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4683912-A1 SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS Neurasic Therapeutics Inc. (CA) 2026-01-28 EP disclosed
WO-2025035205-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVE AND A CYCLOOXYGENASE (COX) INHIBITOR, AND THEIR USE FOR THE TREATMENT OF PAIN NEURASIC THERAPEUTICS INC. (CA) 2025-02-20 WO disclosed
WO-2024192520-A1 SUBSTITUTED THIOPHENE FUSED CYCLOHEXANONE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND THEIR USE AS PHARMACEUTICALS NEURASIC THERAPEUTICS INC. (CA) 2024-09-26 WO disclosed
US-11375716-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2022-07-05 US disclosed
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2020-07-09 US disclosed
US-10548313-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2020-02-04 US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 US disclosed
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2018-03-15 US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 US disclosed
US-9844218-B2 Acetyl-CoA carboxylase modulators MONSANTO TECHNOLOGY LLC (US) 2017-12-19 US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 US disclosed
US-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2016-05-12 US disclosed
WO-2014201326-A1 ACETYL-COA CARBOXYLASE MODULATORS MONSANTO TECHNOLOGY LLC (US) 2014-12-18 WO disclosed
WO-2007124544-A1 INTEGRASE INHIBITORS - 1 AVEXA LIMITED (AU) 2007-11-08 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 (5 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-20160130229-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TRPV1 4674/4885CNR2 3297/4885CNR1 3005/4885
US-11375716-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 TRPV1 4674/4885CNR2 3297/4885CNR1 3005/4885
US-10548313-B2 Acetyl-CoA carboxylase modulators ACACA, ACACB, ACAT2 TRPV1 4674/4885CNR2 3297/4885CNR1 3005/4885
US-20200214289-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TRPV1 4674/4885CNR2 3297/4885CNR1 3005/4885
US-20180070589-A1 ACETYL-COA CARBOXYLASE MODULATORS ACACA, ACACB, ACAT2 TRPV1 4674/4885CNR2 3297/4885CNR1 3005/4885

“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.