SCHEMBL3454882

SCHEMBL3454882

COC(=O)c1cccc2c1CN(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.50
WDR77 Q9BQA1 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 2/20 0.48
DRD1 P21728 2/20 0.48
DRD5 P21918 2/20 0.48
DRD3 P35462 2/20 0.48
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
TRPA1 O75762 2/20 0.44

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
SCHEMBL22859092 0.88 PRMT5 (0.47) PRMT5WDR77MEN1KMT2AGRIA1
SCHEMBL13181749 0.84 PRMT5 (0.45) PRMT5WDR77MEN1KMT2ADRD2
SCHEMBL11018836 0.83 DRD2 (0.44) PRMT5WDR77MEN1KMT2ADRD2
SCHEMBL15504639 0.82 DRD2 (0.47) PRMT5WDR77DRD2DRD1DRD5
SCHEMBL14895892 0.81 KDM4E (0.48) PRMT5WDR77MEN1KMT2ATRPA1
SCHEMBL27849729 0.79 TRPA1 (0.51) KMT2ADRD2DRD3TRPA1
SCHEMBL697731 0.79 SYK (0.45) PRMT5WDR77MEN1KMT2ATRPA1
SCHEMBL19739032 0.78 ESR2 (0.51) PRMT5WDR77
SCHEMBL3440772 0.77 GRIA1 (0.51) PRMT5WDR77MEN1KMT2AGRIA1
SCHEMBL7408640 0.76 TRPA1 (0.49) MEN1KMT2ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2020-07-30 US disclosed
US-20200121803-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. 2020-04-23 US disclosed
EP-2051975-B1 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP disclosed
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
EP-2051975-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 US disclosed
WO-2007131982-A2 SUBSTITUTED PROLINAMIDES, PRODUCTION THEREOF AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 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 (4 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-20200239553-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX PRMT5 1883/4885WDR77 4560/4885MEN1 4184/4885
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 PRMT5 2489/4885WDR77 2058/4885MEN1 2292/4885
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 PRMT5 234/4885WDR77 4516/4885MEN1 1199/4885
US-20200121803-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 PRMT5 2489/4885WDR77 2058/4885MEN1 2292/4885

“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.