SCHEMBL22141990

SCHEMBL22141990

CC1C(C(C)(C)C)CCCN1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35
CHRM5 P08912 5/20 0.35
CHRM1 P11229 5/20 0.35
CHRM3 P20309 5/20 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
SCHEMBL22142486 1.00 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22142487 1.00 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22142015 0.93 CYP1A2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22142510 0.86 HTR1A (0.31)
SCHEMBL22142509 0.86 HTR1A (0.31)
SCHEMBL22142188 0.86 HTR1A (0.31)
SCHEMBL14038190 0.73
SCHEMBL23081023 0.72 L3MBTL1 (0.35)
SCHEMBL9900218 0.71 ALDH1A1 (0.31)
SCHEMBL22142220 0.70

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-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 CHRNB2 1906/4885CHRNA4 1779/4885CHRNB4 2462/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 CHRNB2 1906/4885CHRNA4 1779/4885CHRNB4 2462/4885

“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.