SCHEMBL5058983

SCHEMBL5058983

CC[C@@H]1CNc2ccccc2CN1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
PNMT P11086 4/20 0.42
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
HTR5A P47898 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
SCHEMBL2962008 0.83 MEN1 (0.65) MEN1KMT2APNMTMTNR1AMTNR1B
SCHEMBL10324241 0.83 MEN1 (0.65) MEN1KMT2APNMTMTNR1AMTNR1B
SCHEMBL6616489 0.80 MEN1 (0.97) MEN1KMT2APNMT
SCHEMBL6634269 0.80 MEN1 (0.57) MEN1KMT2APNMTMTNR1AMTNR1B
SCHEMBL5068043 0.77 MEN1 (0.53) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL7237570 0.77 MEN1 (0.53) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL14355729 0.76 PNMT (0.69) PNMTADRA2AADRA2BADRA2C
SCHEMBL13453377 0.76 PNMT (0.69) PNMTADRA2AADRA2BADRA2C
SCHEMBL172636 0.76 PNMT (0.69) PNMTADRA2AADRA2BADRA2C
SCHEMBL24420061 0.74 MEN1 (0.48) MEN1KMT2APNMTMTNR1AMTNR1B

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 MEN1 1124/4885KMT2A 3949/4885PNMT 1501/4885

“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.