SCHEMBL18444563

SCHEMBL18444563

C[C@H]1CCC(=O)N1c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
ABL1 P00519 2/20 0.39
GFER P55789 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
BCHE P06276 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL16992336 1.00 CCNA2 (0.40) CCNA2CDK2CCNA1ABL1GFER
SCHEMBL609915 0.81 NOTUM (0.42) CCNA2CDK2CCNA1USP2KDM4E
SCHEMBL4636834 0.80 GAA (0.46) CCNA2CDK2CCNA1ABL1MEN1
SCHEMBL16480393 0.79 TDP1 (0.47) CCNA2CDK2CCNA1ABL1GFER
SCHEMBL22658820 0.79 SLC6A2 (0.46) CCNA2CDK2CCNA1ABL1TSHR
SCHEMBL25416662 0.79 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1GFER
SCHEMBL30912518 0.79 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1GFER
SCHEMBL11112763 0.79 ESR1 (0.49) CCNA2CDK2CCNA1ABL1HRH3
SCHEMBL10131414 0.79 CYP3A4 (0.41) CCNA2CDK2CCNA1ABL1HRH3
SCHEMBL30912507 0.79 ALDH1A1 (0.42) CCNA2CDK2CCNA1ABL1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107949384-B Muscarinic agonists 奈克斯拉制药英国有限公司 2025-02-28 CN disclosed
US-11324738-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2022-05-10 US disclosed
US-11324738-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2022-05-10 US disclosed
EP-3331528-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-09-29 EP disclosed
EP-3331528-B1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-09-29 EP disclosed
US-20200129496-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-04-30 US disclosed
US-20200129496-A1 MUSCARINIC AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-04-30 US disclosed
US-10548884-B2 Muscarinic agonists HEPTARES THERAPEUTICS LIMITED (GB) 2020-02-04 US disclosed
EP-3331528-A1 MUSCARINIC AGONISTS Heptares Therapeutics Limited (GB) 2018-06-13 EP disclosed
WO-2017021728-A9 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMTED (GB) 2017-04-27 WO disclosed
WO-2017021728-A9 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMTED (GB) 2017-04-27 WO disclosed
WO-2017021728-A1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMTED (GB) 2017-02-09 WO disclosed
WO-2017021728-A1 MUSCARINIC AGONISTS HEPTARES THERAPEUTICS LIMTED (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-10548884-B2 Muscarinic agonists CHRM1, CHRM2, CHRM4 CCNA2 2734/4885CDK2 2733/4885CCNA1 1624/4885
US-20200129496-A1 MUSCARINIC AGONISTS CHRM1, CHRM2, CHRM4 CCNA2 2807/4885CDK2 2890/4885CCNA1 1550/4885
US-11324738-B2 Muscarinic agonists CHRM1, CHRM2, CHRM4 CCNA2 2807/4885CDK2 2890/4885CCNA1 1550/4885

“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.