SCHEMBL2018775

SCHEMBL2018775

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cn3c4c(cccc24)CCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP1 P09874 1/20 0.47
MAPT P10636 1/20 0.46
EPHX1 P07099 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
Hydrochloric Acid SCHEMBL9559906 0.76 HTR3A (0.50) MTNR1AMTNR1B
SCHEMBL5768428 0.75 BACE1 (0.40) POLBLMNATHRB
SCHEMBL2874861 0.74 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL2017661 0.74 NPC1 (0.40) LMNAMTNR1AMTNR1BNPC1RAB9A
SCHEMBL13087200 0.72 MTNR1A (0.50) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL9559737 0.72
SCHEMBL4960694 0.72 POLB (0.58) POLBLMNATHRBMEN1KMT2A
SCHEMBL3124262 0.72 USP30 (0.62) POLBLMNATHRBMEN1KMT2A
SCHEMBL3963418 0.72 POLB (0.58) POLBLMNATHRBMEN1KMT2A
SCHEMBL13906740 0.72 POLB (0.58) POLBLMNATHRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
US-8563567-B2 Substituted heterocyclic compounds ARQULE, INC. (US) 2013-10-22 US disclosed
WO-2011082266-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS ARQULE, INC. (US) 2011-07-07 WO disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 US disclosed
US-20110160237-A1 Substituted Heterocyclic Compounds ARQULE, INC. (US) 2011-06-30 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-20110160237-A1 Substituted Heterocyclic Compounds MKI67, CCNC, NQO1 POLB 1414/4885LMNA 1016/4885THRB 4254/4885

“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.