SCHEMBL22778684

SCHEMBL22778684

CCC(C)(C)c1cnc(N2CCC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.43
MAOB P27338 8/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL19251168 0.85 POLB (0.47) HRH3KDM4E
SCHEMBL12459039 0.81 MEN1 (0.40) HRH3KDM4E
SCHEMBL22752562 0.79 NPC1 (0.37) KDM4ENPC1RAB9A
SCHEMBL18869669 0.79 CASP1 (0.40) HRH3MAOB
SCHEMBL19252713 0.78 CNR2 (0.36) HRH3MAOB
SCHEMBL14375993 0.78 KDM4E (0.47) HRH3MAOBKDM4E
SCHEMBL9906408 0.77 MEN1 (0.40) HRH3KDM4E
SCHEMBL9906447 0.76 SMN1; SMN2 (0.42) HRH3
SCHEMBL14376126 0.75 TRPV1 (0.45) HRH3MAOBKDM4E
SCHEMBL24126961 0.74 OGA (0.49) 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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B HRH3 4648/4885MAOB 409/4885KDM4E 2335/4885

“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.