SCHEMBL18469986

SCHEMBL18469986

CCC(=O)N(CC1CCNCC1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.46
SLC6A4 P31645 20/20 0.46
SLC6A3 Q01959 15/20 0.46
KCNH2 Q12809 4/20 0.46
CYP2D6 P10635 4/20 0.38
CHRM4 P08173 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM5 P08912 1/20 0.35

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 SCHEMBL18429046 0.98 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4610590 0.93 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL18469985 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL18429000 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL6967580 0.80 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18469930 0.78 OPRM1 (0.40)
Hydrochloric Acid SCHEMBL9347602 0.77 USP30 (0.44) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9144078 0.77 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18474883 0.77 OPRM1 (0.41)
SCHEMBL23487077 0.76 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20180155315-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-07 US disclosed
US-20180022726-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-01-25 US disclosed
US-9758506-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-09-12 US disclosed
US-9758506-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-09-12 US disclosed
US-20170037025-A1 Muscarinic Agonists NXERA PHARMA UK LIMITED (GB) 2017-02-09 US disclosed
WO-2017021730-A1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2017-02-09 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 (3 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-20180022726-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 SLC6A2 591/4885SLC6A4 789/4885SLC6A3 636/4885
US-20170037025-A1 Muscarinic Agonists CHRM1, CHRM2, CHRM3 SLC6A2 591/4885SLC6A4 789/4885SLC6A3 636/4885
US-20180155315-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 SLC6A2 591/4885SLC6A4 789/4885SLC6A3 636/4885

“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.