SCHEMBL10111212

SCHEMBL10111212

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PABPC1 P11940 1/20 0.37
ADRA2C P18825 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
SCHEMBL1302799 1.00 KMT2A (0.37) KMT2AMEN1PABPC1ADRA2C
SCHEMBL13139151 0.82
SCHEMBL13139133 0.82
SCHEMBL23258831 0.82
SCHEMBL4612068 0.75 PIK3CD (0.46)
SCHEMBL18626020 0.74 ADRA2C (0.32) KMT2AMEN1PABPC1ADRA2C
SCHEMBL19770696 0.71 ADRA2C (0.32) KMT2AMEN1ADRA2C
SCHEMBL19711790 0.71 ADRA2C (0.32) KMT2AMEN1ADRA2C
SCHEMBL14231586 0.70
SCHEMBL23590617 0.70

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-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS CHACKALAMANNIL SAMUEL (US) 2012-06-21 US disclosed
US-8153664-B2 thrombosis, atherosclerosis, restenosis, hypertension, angina pectoris, arrhythmia, heart failures and cancer SCHERING CORPORATION (US) 2012-04-10 US disclosed
US-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists SCHERING CORPORATION 2008-04-17 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-20080090830-A1 Bicyclic And Tricyclic Derivatives As Thrombin Receptor Antagonists EDNRB, TBXA2R, BDKRB1 KMT2A 2593/4885MEN1 2528/4885PABPC1 3810/4885
US-20120157403-A1 BICYCLIC AND TRICYCLIC DERIVATIVES AS THROMBIN RECEPTOR ANTAGONISTS EDNRB, TBXA2R, BDKRB1 KMT2A 2490/4885MEN1 2794/4885PABPC1 3674/4885

“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.