SCHEMBL717491

SCHEMBL717491

C=C(C)C(=O)NCCC(C)(Sc1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ESRRG P62508 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PLAAT5 Q96KN8 2/20 0.33
PLAAT4 Q9UL19 2/20 0.33

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
SCHEMBL719269 0.85 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1DRD2DRD4
SCHEMBL294482 0.82 ALDH1A1 (0.42) MTNR1AMTNR1BALDH1A1DRD2DRD4
SCHEMBL720974 0.78 POLB (0.39) MTNR1AMTNR1BALDH1A1KDM4EPOLB
SCHEMBL285271 0.76 TDP1 (0.39) MTNR1AMTNR1BALDH1A1KDM4ERAB9A
SCHEMBL719664 0.74 NPC1 (0.48) MTNR1AMTNR1BALDH1A1KDM4ENPC1
SCHEMBL716724 0.74 NPC1 (0.48) MTNR1AMTNR1BALDH1A1KDM4ENPC1
SCHEMBL285278 0.72 POLB (0.40) MTNR1AMTNR1BALDH1A1KDM4ENPC1
SCHEMBL718250 0.71 POLB (0.40) MTNR1AMTNR1BALDH1A1KDM4ENPC1
SCHEMBL720076 0.70 NPC1 (0.41) MTNR1AMTNR1BALDH1A1DRD2DRD4
SCHEMBL299746 0.69 NPC1 (0.43) MTNR1AMTNR1BALDH1A1DRD2DRD4

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ MTNR1A 4207/4885MTNR1B 3998/4885ALDH1A1 3560/4885

“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.