SCHEMBL22606800

SCHEMBL22606800

O=C(NCc1ncc[nH]1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.55
▸ MCHR1 Q99705 2/20 0.48
▸ FAAH O00519 1/20 0.47
▸ CHRM1 P11229 2/20 0.47
▸ CHRM3 P20309 2/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM5 P08912 1/20 0.46
▸ EGFR P00533 1/20 0.45
▸ FLT1 P17948 1/20 0.45
▸ SMO Q99835 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ERCC1 P07992 1/20 0.44
▸ ERCC4 Q92889 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MCHR2 Q969V1 1/20 0.44
▸ SSTR5 P35346 1/20 0.43
▸ ACKR3 P25106 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL22584713 0.85 CHRM4 (0.50) CHRM4MCHR1FAAHMAPTKCNH2
SCHEMBL22606683 0.84 CHRM4 (0.56) CHRM4MCHR1FAAHCHRM1CHRM3
SCHEMBL22606652 0.84 ACKR3 (0.57) CHRM4MCHR1FAAHCHRM1CHRM3
SCHEMBL22606644 0.83 LMNA (0.56) CHRM4FAAHCHRM1CHRM3CHRM2
SCHEMBL22607012 0.83 CHRM4 (0.50) CHRM4MCHR1FAAHCHRM1CHRM3
SCHEMBL22606629 0.82 CHRM4 (0.49) CHRM4MCHR1FAAHCHRM1CHRM3
SCHEMBL22606649 0.82 CHRM4 (0.51) CHRM4MCHR1FAAHCHRM1CHRM3
SCHEMBL22606974 0.78 CHRM4 (0.49) CHRM4MCHR1FAAHMAPTKCNH2
SCHEMBL22584711 0.78 LTA4H (0.63) CHRM4MCHR1FAAHKCNH2MCHR2
SCHEMBL22606972 0.78 SSTR5 (0.51) CHRM4MCHR1FAAHCHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF ENHANCEDBIO, INC. (KR) 2020-10-29 — — US 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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF NEDD4, PFDN1, PF4 CHRM4 3387/4885MCHR1 4698/4885FAAH 4096/4885

“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.

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