SCHEMBL20074533

SCHEMBL20074533

N#CC1(c2ccc(F)cn2)CCC(N)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
FGFR1 P11362 3/20 0.35
FGFR4 P22455 3/20 0.35
FGFR3 P22607 2/20 0.35
FGFR2 P21802 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
HDAC6 Q9UBN7 1/20 0.32
TRPA1 O75762 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HSD11B1 P28845 1/20 0.31
MAP3K12 Q12852 1/20 0.30

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
SCHEMBL1760004 0.86 FFAR4 (0.43) FFAR4FGFR1FGFR4FGFR3FGFR2
SCHEMBL11920963 0.83 FFAR4 (0.35) FFAR4FGFR1FGFR4FGFR3FGFR2
SCHEMBL23008877 0.83 FFAR4 (0.39) FFAR4FGFR1FGFR4FGFR3FGFR2
SCHEMBL17713182 0.83 FFAR4 (0.39) FFAR4FGFR1FGFR4FGFR3FGFR2
SCHEMBL20074624 0.82 OPRM1 (0.34) FGFR1FGFR4FGFR3FGFR2OPRM1
SCHEMBL11920960 0.78 FFAR4 (0.39) FFAR4FGFR1FGFR4FGFR3FGFR2
SCHEMBL20073971 0.78 MAP3K12 (0.39) FFAR4OPRM1HDAC6MAP3K12
SCHEMBL20073981 0.76 HSD11B1 (0.45) OPRM1OPRL1OPRD1OPRK1HSD11B1
SCHEMBL20066130 0.75 FFAR4 (0.38) FFAR4OPRM1HDAC6
SCHEMBL23799231 0.72 CYP2D6 (0.41) FFAR4FGFR1FGFR4FGFR3FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2023-12-05 US disclosed
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-07-07 US disclosed
EP-3526207-B1 HETEROCYCLIC COMPOUNDS HAVING ACTIVITY AS MODULATORS OF MUSCARINIC M1 AND/OR M4 RECEPTORS IN THE TREATMENT OF CNS DISEASES AND PAINS. HEPTARES THERAPEUTICS LTD (GB) 2021-09-08 EP disclosed
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-05-25 US disclosed
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-09-17 US disclosed
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-01 US disclosed
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2019-07-04 US disclosed
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-04-16 US disclosed
US-20180105491-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2018-04-19 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 (8 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-20180105491-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 FFAR4 169/4885FGFR1 1515/4885FGFR4 1274/4885
US-20190202783-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 FFAR4 87/4885FGFR1 1792/4885FGFR4 1536/4885
US-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 FFAR4 87/4885FGFR1 1792/4885FGFR4 1536/4885
US-11014880-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 FFAR4 87/4885FGFR1 1792/4885FGFR4 1536/4885
US-10259787-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 FFAR4 87/4885FGFR1 1792/4885FGFR4 1536/4885
US-20220213034-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 FFAR4 87/4885FGFR1 1792/4885FGFR4 1536/4885
US-10759751-B2 Substituted spirocyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 FFAR4 130/4885FGFR1 1433/4885FGFR4 1488/4885
US-11834407-B2 Substituted cyclohexanes as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 FFAR4 87/4885FGFR1 1792/4885FGFR4 1536/4885

“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.