SCHEMBL19322908

SCHEMBL19322908

CC(=O)NCC1CNc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 1.00
MTNR1B P49286 11/20 1.00
EPHX2 P34913 1/20 0.47
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL25330881 0.87 MTNR1A (0.77) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8564600 0.86 MTNR1A (0.76) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL19318516 0.86 MTNR1A (0.76) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8564607 0.86 MTNR1A (0.76) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8564595 0.86 MTNR1A (0.76) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL27057753 0.83 MTNR1A (0.70) MTNR1AMTNR1BEPHX2
SCHEMBL7281450 0.81 MTNR1A (0.68) MTNR1AMTNR1BDRD3
SCHEMBL16181821 0.80 MTNR1A (0.67) MTNR1AMTNR1BEPHX2
SCHEMBL19319093 0.80 MTNR1A (0.66) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL10974953 0.78 MTNR1A (0.64) MTNR1AMTNR1BEPHX2GAAMAPT

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC MTNR1A 3652/4885MTNR1B 3626/4885EPHX2 2582/4885

“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.