SCHEMBL24309149

SCHEMBL24309149

CC[C@@]1(c2ccc3ccccc3c2)CCN(N)C1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 7/20 0.40
SLC6A2 P23975 4/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL24162066 0.84 KMT2A (0.43) OPRM1SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL5953333 0.69 NPSR1 (0.41) OPRM1SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL24310259 0.68 KMT2A (0.43) OPRM1SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL24309156 0.67 MEN1 (0.42) OPRM1KMT2A
SCHEMBL27511149 0.66 OPRM1 (0.51) OPRM1SLC6A4SLC6A3SLC6A2
SCHEMBL24596435 0.63 OPRL1 (0.43) SLC6A4KMT2APKM
SCHEMBL11473213 0.63 SLC18A3 (0.40) OPRM1SLC6A4KMT2A
SCHEMBL24596440 0.62 POLB (0.44) OPRM1SLC6A3
SCHEMBL22147811 0.62 MMP1 (0.51) OPRM1KMT2A
SCHEMBL9438522 0.62 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2

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-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 US disclosed
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 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 (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-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 OPRM1 1130/4885SLC6A4 4063/4885SLC6A3 4107/4885
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 OPRM1 1130/4885SLC6A4 4063/4885SLC6A3 4107/4885

“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.