SCHEMBL13248792

SCHEMBL13248792

NCC(=O)c1cn2c3c(cccc13)CCC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.58
HTR2C P28335 2/20 0.58
MTNR1A P48039 7/20 0.50
MTNR1B P49286 7/20 0.50
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
MCL1 Q07820 1/20 0.41
OPA1 O60313 1/20 0.40
EIF5B O60841 1/20 0.40
MET P08581 1/20 0.40
HMOX2 P30519 1/20 0.40

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 SCHEMBL2874439 0.99 HTR2A (0.56) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL2348471 0.87 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL2879591 0.86 MTNR1A (0.53) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL12450012 0.86 MTNR1A (0.57) HTR2AHTR2CMTNR1AMTNR1BGAA
SCHEMBL14012424 0.84 MTNR1A (0.51) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL2342187 0.83 HTR2A (0.48) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL1395799 0.83 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMCL1
SCHEMBL2260099 0.82 HTR2A (0.52) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL27977245 0.82 HTR2A (0.51) HTR2AHTR2CMTNR1AMTNR1BMEN1
SCHEMBL2023775 0.82 HTR2A (0.51) HTR2AHTR2CMTNR1AMTNR1BKMT2A

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-8304425-B2 Pyrrolidinone, pyrrolidine-2,5-dione, pyrrolidine and thiosuccinimide derivatives, compositions and methods for treatment of cancer ARQULE, INC. (US) 2012-11-06 US disclosed
US-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer ARQULE, INC. (US) 2010-07-15 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-20100178291-A1 Pyrrolidinone, Pyrrolidine-2, 5-Dione, Pyrrolidine and Thiosuccinimide Derivatives, Compositions and Methods for Treatment of Cancer PYCR1, DHPS, TYMP HTR2A 3957/4885HTR2C 2099/4885MTNR1A 2134/4885

“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.