SCHEMBL5068043

SCHEMBL5068043

C[C@@H]1CNc2ccccc2CN1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR5A P47898 2/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ADRA2A P08913 1/20 0.36
PNMT P11086 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7237570 1.00 MEN1 (0.53) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL5058983 0.77 MEN1 (0.65) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL7905314 0.75 HTR2C (0.40) HSD17B10HTR5AHTR2CHTR2AADRA2A
SCHEMBL5064557 0.75 HTR2C (0.37) MEN1KMT2AHTR5AHTR2CHTR2A
SCHEMBL7236543 0.74 MTNR1A (0.47) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL2962008 0.73 MEN1 (0.65) MEN1KMT2AALOX15HSD17B10MTNR1A
SCHEMBL10324241 0.73 MEN1 (0.65) MEN1KMT2AALOX15HSD17B10MTNR1A
SCHEMBL14730122 0.72 ALOX15 (0.41) MEN1KMT2AALOX15HSD17B10HTR5A
SCHEMBL9965445 0.72 BRD4 (0.55) MEN1KMT2AALOX15HSD17B10MTNR1A
SCHEMBL2620988 0.72 BRD4 (0.55) MEN1KMT2AALOX15HSD17B10MTNR1A

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 5 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
US-6503900-B2 For treatment or prevention of disorders such as obsessive-compulsive disorder, depression, anxiety, schizophrenia WYETH 2003-01-07 US disclosed
US-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-07-04 US disclosed
WO-2002036596-A2 CYCLOALKYL[b][1,4]DIAZEPINO[6,7,1-hi]INDOLES AND DERIVATIVES WYETH (US) 2002-05-10 WO 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 (2 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-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives GRIK1, GRIK3, GRIK4 MEN1 1231/4885KMT2A 286/4885ALOX15 1164/4885
US-20080161294-A1 Urea derivative, medicinal composition containing the same, and medicinal use of these AVPR2, UTS2R, GPR119 MEN1 1124/4885KMT2A 3949/4885ALOX15 992/4885

“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.