SCHEMBL15925835

SCHEMBL15925835

CN(C(=O)C(F)(F)F)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
BRD4 O60885 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
PDK2 Q15119 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL19384067 0.92 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12211963 0.84 PDK2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2339028 0.84 PDK2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14500812 0.84 PDK2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14720161 0.83 RAB9A (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12385945 0.82 DPP4 (0.34) MCHR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1543244 0.82 DPP4 (0.34) MCHR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL13240702 0.82 DPP4 (0.34) MCHR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL23558763 0.82 DPP4 (0.41) DPP4DPP8DPP9DPP7BRD4
SCHEMBL12234268 0.82 FAAH (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 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-20230159517-A1 CHROMANE AMIDINE MONOBACTAM COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TCOF1, SLC10A2, PAM MCHR1 1792/4885CHRM2 546/4885CHRM4 868/4885

“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.