SCHEMBL6505347

SCHEMBL6505347

CN(C)CC(=O)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.53
GNAI3 P08754 1/20 0.53
GNAO1 P09471 1/20 0.53
GNAI1 P63096 1/20 0.53
POLB P06746 1/20 0.48
KDM1A O60341 1/20 0.43
CHRM3 P20309 2/20 0.42
CHRM5 P08912 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRM1 P11229 1/20 0.40
MAOA P21397 1/20 0.39
EPHX2 P34913 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BDKRB1 P46663 1/20 0.37

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
SCHEMBL4191188 0.86 MAOA (0.47) EPHX1MAOASMN1; SMN2NPSR1
SCHEMBL18629569 0.81 NPSR1 (0.56) EPHX1EPHX2SMN1; SMN2NPSR1
SCHEMBL6497863 0.80 MAPK1 (0.44) CHRM3CHRM5SIGMAR1SMN1; SMN2NPSR1
SCHEMBL9029685 0.79 EPHX1 (0.48) EPHX1POLBMAOASMN1; SMN2
SCHEMBL9027751 0.79 EPHX1 (0.48) EPHX1POLBMAOASMN1; SMN2
SCHEMBL9027748 0.79 EPHX1 (0.48) EPHX1POLBMAOASMN1; SMN2
SCHEMBL1908699 0.79 MAOA (0.43) EPHX1MAOASMN1; SMN2NPSR1
SCHEMBL617591 0.79 GNAI3 (0.62) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL4503819 0.78 MAOA (0.42) MAOASMN1; SMN2NPSR1
SCHEMBL21198215 0.78 SMYD3 (0.49) MAOASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163527-A1 NOVEL COMPOUND HAVING INHIBITORY ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE, AND USES THEREOF 주식회사 카나프테라퓨틱스 2023-08-31 WO disclosed
WO-2023163527-A1 NOVEL COMPOUND HAVING INHIBITORY ACTIVITY AGAINST EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE, AND USES THEREOF 주식회사 카나프테라퓨틱스 2023-08-31 WO disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP 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 (1 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 EPHX1 1332/4885GNAI3 3279/4885GNAO1 2376/4885

“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.