SCHEMBL22158154

SCHEMBL22158154

NC(=O)N1CCC2(CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.49
GRM5 P41594 3/20 0.49
SPR P35270 7/20 0.44
USP2 O75604 1/20 0.42

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
SCHEMBL22634389 0.98 HSD11B1 (0.46) HSD11B1GRM5SPRUSP2
SCHEMBL22158069 0.94 SPR (0.47) HSD11B1GRM5SPRUSP2
SCHEMBL31187309 0.92 GRM5 (0.58) HSD11B1GRM5SPRUSP2
SCHEMBL21223637 0.89 GRM5 (0.55) HSD11B1GRM5SPRUSP2
SCHEMBL30553460 0.89 SPR (0.40) HSD11B1GRM5SPRUSP2
SCHEMBL322478 0.88 GRM5 (0.49) HSD11B1GRM5SPRUSP2
SCHEMBL1374546 0.87 CTSB (0.41) HSD11B1GRM5SPRUSP2
SCHEMBL3379327 0.85 CTSB (0.38) HSD11B1GRM5SPRUSP2
SCHEMBL29622544 0.85 GRM5 (0.44) HSD11B1GRM5SPR
SCHEMBL31706968 0.82 USP2 (0.45) HSD11B1SPRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US claimed
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-04-21 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 (3 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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 HSD11B1 3718/4885GRM5 1861/4885SPR 4674/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 HSD11B1 3718/4885GRM5 1861/4885SPR 4674/4885
US-20220119412-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 HSD11B1 3207/4885GRM5 1208/4885SPR 2547/4885

“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.