SCHEMBL5607432

SCHEMBL5607432

CC(c1ccccc1)C(CC(N)=O)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
MME P08473 5/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX5 P09917 1/20 0.43
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 3/20 0.42
DRD3 P35462 2/20 0.42
LMNA P02545 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
EDNRB P24530 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.42
MC3R P41968 1/20 0.42
DRD2 P14416 1/20 0.42

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
SCHEMBL3700641 0.89 MME (0.49) CYP2C19MMECYP1A2CYP2D6PKM
SCHEMBL27856255 0.81 CYP2D6 (0.50) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL3631075 0.81 MME (0.52) MMEALOX5EPHX1
SCHEMBL17242314 0.80 HTT (0.40) MMEEPHX1ALDH1A1HTT
SCHEMBL17242313 0.80 HTT (0.40) MMEEPHX1ALDH1A1HTT
SCHEMBL20072245 0.79 TAAR1 (0.49) MMEALOX5EPHX1HTT
SCHEMBL6398814 0.79 CYP2C19 (0.46) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL6400135 0.79 CYP2C19 (0.46) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL5988113 0.77 TAAR1 (0.54) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL353133 0.77 TAAR1 (0.54) CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2

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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP CYP2C19 2118/4885MME 463/4885CYP1A2 3207/4885

“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.