SCHEMBL10116501

SCHEMBL10116501

CC(=O)[C@@H]1Cc2ccccc2N1C

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ACE P12821 3/20 0.43

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
SCHEMBL8278527 1.00 NOTUM (0.51) NOTUMMTNR1AMTNR1BACE
SCHEMBL3365538 0.87 NOTUM (0.49) NOTUMACE
SCHEMBL5847071 0.86 ACE (0.54) ACE
SCHEMBL5847068 0.86 ACE (0.54) ACE
SCHEMBL4278365 0.86 ACE (0.54) ACE
SCHEMBL12626587 0.84 XIAP (0.47) NOTUMACE
SCHEMBL8278632 0.83 MTNR1A (0.55) NOTUMMTNR1AACE
SCHEMBL11890808 0.82 NOTUM (0.44) NOTUMMTNR1AMTNR1BACE
SCHEMBL14610927 0.81 ACE (0.47) NOTUMACE
SCHEMBL5847276 0.81 DRD2 (0.48) NOTUMMTNR1AMTNR1B

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-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-10 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 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 (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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 NOTUM 3050/4885MTNR1A 1445/4885MTNR1B 1152/4885
US-20120115842-A1 Substituted Oxindole Derivatives, Medicaments Containing Said Derivatives and Use Thereof OXTR, AVPR2, AVPR1B NOTUM 2621/4885MTNR1A 36/4885MTNR1B 44/4885

“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.