SCHEMBL23027705

SCHEMBL23027705

CN1CCCC(Oc2nc(F)cc(F)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
IL1B P01584 1/20 0.42
NLRP3 Q96P20 1/20 0.42
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.39
CYP2D6 P10635 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 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
SCHEMBL17581179 0.90 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23027707 0.90 POLB (0.41) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL17581281 0.82 NOS3 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL17581284 0.82 NOS3 (0.42) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL17581176 0.76 CHRM2 (0.43) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL20281459 0.74 CHRM2 (0.45) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL20145042 0.73 PDE3B (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL20144818 0.72 IL1B (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL20145073 0.72 IL1B (0.50) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL20145024 0.72 TDO2 (0.48) CHRM2CHRM1CHRM3CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584757-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2023-02-21 US disclosed
US-20210053984-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2021-02-25 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 (2 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-11584757-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 CHRM2 4331/4885CHRM1 4830/4885CHRM3 4327/4885
US-20210053984-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 CHRM2 4331/4885CHRM1 4830/4885CHRM3 4327/4885

“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.