SCHEMBL12635744

SCHEMBL12635744

C[C@H]1Cc2ccccc2CN(C[C@@H](O)[C@@H](N)Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
HDAC8 Q9BY41 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT5 O14744 3/20 0.36
WDR77 Q9BQA1 3/20 0.36
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL12635740 1.00 CSNK1E (0.43) CSNK1EHDAC8MEN1KMT2APOLB
SCHEMBL12635754 0.86 HDAC8 (0.43) CSNK1EHDAC8PRMT5WDR77
SCHEMBL495855 0.85 HDAC8 (0.50) CSNK1EHDAC8MEN1KMT2ACARM1
Hydrochloric Acid SCHEMBL496040 0.83 HDAC8 (0.51) CSNK1EHDAC8MEN1KMT2ACARM1
SCHEMBL12635685 0.81 PRMT5 (0.43) MEN1KMT2APOLBPRMT5WDR77
SCHEMBL12635457 0.81 PRMT5 (0.43) MEN1KMT2APOLBPRMT5WDR77
SCHEMBL12671664 0.80 CSNK1E (0.42) CSNK1EHDAC8MEN1KMT2ASLC6A2
SCHEMBL12671667 0.80 CSNK1E (0.42) CSNK1EHDAC8MEN1KMT2ASLC6A2
SCHEMBL496381 0.79 PRMT5 (0.56) HDAC8CARM1PRMT5WDR77
SCHEMBL12635437 0.78 KLK5 (0.50) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283346-B2 Human immunodeficiency virus protease inhibitors THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-10-09 US disclosed
US-20110112068-A1 HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITORS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY 2011-05-12 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 (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-20110112068-A1 HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITORS SERPINB1, PREP, TMPRSS15 CSNK1E 1630/4885HDAC8 1103/4885MEN1 4224/4885

“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.