SCHEMBL18429014

SCHEMBL18429014

O=C(O)N1CCC(N(CCO)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.45
CHRM3 P20309 4/20 0.45
OPRD1 P41143 9/20 0.43
OPRM1 P35372 7/20 0.43
OPRK1 P41145 6/20 0.43
SIGMAR1 Q99720 3/20 0.41
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
CCR5 P51681 1/20 0.40
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL18429067 0.83 MEN1 (0.55)
SCHEMBL18469972 0.82 CHRM1 (0.57) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL5725403 0.81 ALDH1A1 (0.43) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL22797844 0.79 HRH3 (0.40) CHRM2OPRM1CCR5KCNH2
SCHEMBL5801159 0.78 KDM4E (0.47) OPRM1OPRK1ADRA1AKCNH2DRD2
SCHEMBL5969496 0.77 CCR5 (0.53) CHRM2OPRD1OPRM1SIGMAR1ADRA1A
SCHEMBL18428936 0.76 OPRM1 (0.44) CHRM3OPRD1OPRM1OPRK1SIGMAR1
SCHEMBL2896994 0.75 L3MBTL3 (0.46) CHRM2CHRM3OPRD1OPRM1OPRK1
SCHEMBL18475969 0.75 NOS2 (0.47) OPRM1OPRK1SIGMAR1ADRA1AKCNH2
SCHEMBL5969537 0.75 CCR5 (0.49) OPRM1SIGMAR1CCR5KCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3822262-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2024-03-27 EP disclosed
CN-107949558-B Muscarinic agonists 赫普泰雅治疗有限公司 2022-03-15 CN disclosed
US-11091456-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
EP-3822262-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2021-05-19 EP disclosed
EP-3331869-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2020-12-23 EP disclosed
US-20190270718-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2019-09-05 US disclosed
US-10351545-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-07-16 US disclosed
US-10167272-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-01-01 US disclosed
EP-3331869-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2018-06-13 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-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 (7 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-11091456-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885
US-20180022726-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885
US-20190270718-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885
US-10351545-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885
US-20170037025-A1 Muscarinic Agonists CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885
US-20180155315-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885
US-10167272-B2 Muscarinic agonists CHRM1, CHRM2, CHRM3 CHRM2 2/4885CHRM3 3/4885OPRD1 183/4885

“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.