SCHEMBL7227690

SCHEMBL7227690

CC(=O)N1Cc2ccccc2NC[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HSD17B3 P37058 4/20 0.44
NOTUM Q6P988 5/20 0.42
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
POLB P06746 1/20 0.38
BRS3 P32247 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 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 1.00 MTNR1A (0.45) MTNR1AMTNR1BHSD17B3NOTUMMAPK1
SCHEMBL5066726 0.88 MTNR1A (0.42) MTNR1AMTNR1BHSD17B3NOTUMMAPK1
SCHEMBL14130011 0.81 MAPK1 (0.58) MTNR1AMTNR1BMAPK1EPHX2
SCHEMBL20738530 0.76 NOTUM (0.56) MTNR1AMTNR1BHSD17B3NOTUMPOLB
SCHEMBL419149 0.76 NOTUM (0.56) MTNR1AMTNR1BHSD17B3NOTUMPOLB
SCHEMBL20738534 0.76 NOTUM (0.56) MTNR1AMTNR1BHSD17B3NOTUMPOLB
SCHEMBL16722422 0.72 NOTUM (0.55) HSD17B3NOTUMBRD4SMN1; SMN2GAA
SCHEMBL16722424 0.72 NOTUM (0.55) HSD17B3NOTUMBRD4SMN1; SMN2GAA
SCHEMBL11890095 0.71 MTNR1A (0.40) MTNR1AMTNR1BHSD17B3MAPK1EPHX2
SCHEMBL5068055 0.71 MTNR1A (0.40) MTNR1AMTNR1BHSD17B3MAPK1EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020086860-A1 [1,4]Diazepino [6,7,1-jk] carbazoles and derivatives GRIK1, GRIK3, GRIK4 MTNR1A 1027/4885MTNR1B 703/4885HSD17B3 674/4885

“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.