SCHEMBL17101331

SCHEMBL17101331

O=C1NCC2(CCCN(Cc3ccccc3)CC2)O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
CYP2D6 P10635 2/20 0.68
LMNA P02545 1/20 0.68
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
DRD1 P21728 1/20 0.68
KMT2A Q03164 2/20 0.67
MAPT P10636 1/20 0.67
SIGMAR1 Q99720 9/20 0.52
OPRM1 P35372 2/20 0.48
DRD2 P14416 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL2604320 0.95 TSHR (0.75) TSHRCYP2D6LMNACHRM2ADRA2A
SCHEMBL16565506 0.86 CYP2D6 (0.67) TSHRCYP2D6LMNACHRM2ADRA2A
Fenspiride SCHEMBL21016 0.81 LMNA (1.00) TSHRCYP2D6LMNACHRM2ADRA2A
Fenspiride SCHEMBL613462 0.80 MAPT (1.00) TSHRCYP2D6LMNACHRM2ADRA2A
Fenspiride SCHEMBL17006239 0.80 LMNA (0.97) TSHRCYP2D6LMNACHRM2ADRA2A
Fenspiride SCHEMBL9223216 0.80 LMNA (0.97) TSHRCYP2D6LMNACHRM2ADRA2A
SCHEMBL12185075 0.78 TSHR (0.53) TSHRCYP2D6LMNACHRM2ADRA2A
SCHEMBL21776132 0.77 LMNA (0.51) TSHRCYP2D6LMNACHRM2ADRA2A
SCHEMBL1977270 0.77 SIGMAR1 (0.58) TSHRCYP2D6LMNACHRM2ADRA2A
SCHEMBL24248889 0.75 SIGMAR1 (0.49) TSHRCYP2D6KMT2ASIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202843-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2025-01-21 US disclosed
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2022-02-17 US disclosed
US-11034704-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2021-06-15 US disclosed
US-11034704-B2 Muscarinic receptor agonists NXERA PHARMA UK LIMITED (GB) 2021-06-15 US disclosed
EP-3119396-B1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-05-05 EP disclosed
US-10428088-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-10-01 US disclosed
US-10428088-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-10-01 US disclosed
US-20180327426-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-11-15 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-10030035-B2 Muscarinic receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
US-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-04-06 US disclosed
EP-3119396-A1 MUSCARINIC RECEPTOR AGONISTS Heptares Therapeutics Limited (GB) 2017-01-25 EP disclosed
WO-2015140559-A1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2015-09-24 WO disclosed
WO-2015140559-A1 MUSCARINIC RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2015-09-24 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-20170096437-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 TSHR 90/4885CYP2D6 717/4885LMNA 2124/4885
US-10428088-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 94/4885CYP2D6 731/4885LMNA 2166/4885
US-20220048928-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 TSHR 94/4885CYP2D6 731/4885LMNA 2166/4885
US-12202843-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 94/4885CYP2D6 731/4885LMNA 2166/4885
US-20180327426-A1 MUSCARINIC RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 TSHR 94/4885CYP2D6 731/4885LMNA 2166/4885
US-10030035-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 90/4885CYP2D6 717/4885LMNA 2124/4885
US-11034704-B2 Muscarinic receptor agonists CHRM1, CHRM2, CHRM3 TSHR 94/4885CYP2D6 731/4885LMNA 2166/4885

“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.