SCHEMBL22407124

SCHEMBL22407124

O=C(O)N[C@@H]1CCN(C2CCC3(CC2)C(=O)Nc2cccnc23)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MAPK14 Q16539 4/20 0.36
RAF1 P04049 1/20 0.36
BTK Q06187 2/20 0.36
SLC6A5 Q9Y345 1/20 0.36
CHRM1 P11229 2/20 0.35

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
SCHEMBL23778415 0.90 SMO (0.38) CCR2HRH3MAPK14RAF1BTK
SCHEMBL22407123 0.85 CALCRL (0.43) CCR2
SCHEMBL23778317 0.82 MAPK14 (0.40) CCR2HRH3MAPK14BTKSLC6A5
SCHEMBL23778412 0.81 HRH3 (0.39) HRH3
SCHEMBL23799135 0.80 OPRL1 (0.38) HRH3
SCHEMBL23778430 0.78 PRKCB (0.39) MAPK14RAF1
SCHEMBL23778278 0.78 CCR5 (0.39) HRH3
SCHEMBL23778304 0.78 MAPK14 (0.43) CCR2MAPK14RAF1CHRM1
SCHEMBL23778440 0.78 HRH3 (0.39) HRH3
SCHEMBL20066006 0.76 PDE10A (0.41) HRH3

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-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2020-09-17 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-20200290963-A1 SUBSTITUTED CYCLOHEXANES AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CCR2 209/4885HRH3 59/4885MAPK14 4186/4885

“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.