SCHEMBL14098553

SCHEMBL14098553

CC(C)c1cncc(N2CCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
CHRNB2 P17787 10/20 0.44
CHRNA4 P43681 10/20 0.44
CHRNA1 P02708 1/20 0.41
CHRNA7 P36544 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CHKA P35790 1/20 0.39

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
SCHEMBL16131144 0.98 CCR6 (0.47) CCR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL21282988 0.96 CCR6 (0.45) CCR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL13436278 0.87 CCR6 (0.46) CCR6CHKA
SCHEMBL13436522 0.86 CCR6 (0.47) CCR6CHRNB2CHRNA4MKNK1MKNK2
SCHEMBL13436280 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL13436487 0.86 KDM4E (0.41) CCR6CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL13436500 0.86 HRH4 (0.44) CCR6
SCHEMBL13436267 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL13436507 0.84 CCR6 (0.51) CCR6CHRNB2CHRNA4MKNK1MKNK2
SCHEMBL13436330 0.84 KDM4E (0.45) CCR6CHRNB2CHRNA4

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
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-7410970-B2 Substituted 1,4,-di-piperidin-4-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-12 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR6 4225/4885CHRNB2 388/4885CHRNA4 459/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR6 4225/4885CHRNB2 388/4885CHRNA4 459/4885

“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.