SCHEMBL23717436

SCHEMBL23717436

CCC(C)N1CC(c2cccnc2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.44
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL20780471 0.87 CYP3A4 (0.47) CYP2A6CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL23717192 0.84 GRM2 (0.36) KDM4ETSHRMEN1KMT2AGRM2
SCHEMBL13413432 0.79 CYP2A6 (0.48) CYP2A6CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL15928323 0.77 KDM4E (0.48) CYP2A6CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL22222413 0.77 CYP3A4 (0.42) CYP3A4CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL13395495 0.74 CYP2A6 (0.42) CYP2A6CYP3A4CYP1A2CYP2C19CYP2C9
SCHEMBL9239754 0.71 TDP1 (0.43) ALDH1A1KDM4EMEN1KMT2AGRM2
SCHEMBL20780472 0.70 HTR2B (0.37) CYP1A2GRM2
SCHEMBL20780486 0.69 HTR2B (0.47) KDM4ETSHRKMT2A
SCHEMBL20794011 0.69 HTR2B (0.47) KDM4ETSHRKMT2A

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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 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-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 CYP2A6 4088/4885CYP3A4 4379/4885CYP1A2 3419/4885

“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.