SCHEMBL5066726

SCHEMBL5066726

C[C@@H]1CNc2ccccc2CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
HSD17B3 P37058 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NOTUM Q6P988 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
ACE P12821 2/20 0.34
ALOX5 P09917 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL7227676 0.88 MTNR1A (0.45) MTNR1AMTNR1BMAPK1EPHX2HSD17B3
SCHEMBL7227690 0.88 MTNR1A (0.45) MTNR1AMTNR1BMAPK1EPHX2HSD17B3
SCHEMBL14130011 0.81 MAPK1 (0.58) MTNR1AMTNR1BMAPK1EPHX2MEN1
SCHEMBL5068187 0.80 AHR (0.38) MAPK1NOTUMMEN1KMT2A
SCHEMBL11890095 0.79 MTNR1A (0.40) MTNR1AMTNR1BMAPK1EPHX2HSD17B3
SCHEMBL5068055 0.79 MTNR1A (0.40) MTNR1AMTNR1BMAPK1EPHX2HSD17B3
SCHEMBL15355395 0.76 OPRM1 (0.49) NOTUMACE
SCHEMBL5063247 0.72 NR1D1 (0.48) MTNR1AMTNR1BMAPK1GAAMEN1
SCHEMBL19994348 0.72 DPP4 (0.32) KMT2AALOX5
SCHEMBL30001804 0.72 DPP4 (0.32) KMT2AALOX5

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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
EP-1867639-A1 UREA DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-19 EP 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-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 MTNR1A 120/4885MTNR1B 139/4885MAPK1 2650/4885

“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.