SCHEMBL8857930

SCHEMBL8857930

CC(C)c1cccc(C(C)C)c1N1C(=O)N=NC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.51
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
ANPEP P15144 5/20 0.51
FAAH O00519 2/20 0.43
MGLL Q99685 1/20 0.43
GAA P10253 1/20 0.42
GABRA1 P14867 2/20 0.40
TSHR P16473 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
GABRB1 P18505 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 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
SCHEMBL2032898 0.78 MGLL (0.63) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL29366407 0.74 DPP4 (0.78) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL9612014 0.74 DPP4 (0.63) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL2820118 0.74 DPP4 (0.78) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL2481189 0.74 DPP4 (0.80) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL30954668 0.73 ANPEP (0.67) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL29286159 0.73 ANPEP (0.58) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL17531021 0.73 ANPEP (0.67) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL15437793 0.72 DPP4 (0.55) DPP4NR1H2NR1H3ANPEPFAAH
SCHEMBL21570790 0.71 DPP4 (0.42) DPP4NR1H2NR1H3ANPEPFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301270-B2 Compositions and methods for quadricyclane modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-28 US disclosed
US-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-01 US disclosed
US-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-01 US disclosed
US-9556195-B2 Compositions and methods for quadricyclane modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-31 US disclosed
US-9556195-B2 Compositions and methods for quadricyclane modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-01-31 US disclosed
US-20130244267-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-09-19 US disclosed
US-20130244267-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2013-09-19 US disclosed
EP-0545590-B1 Heat curable organopolysiloxane compositions GEN ELECTRIC (US) 1997-02-05 EP disclosed
EP-0545590-A1 Heat curable organopolysiloxane compositions GENERAL ELECTRIC COMPANY (US) 1993-06-09 EP disclosed
US-5206329-A Containing silicon hydride, platinum catalyst and triazolinedione polymerization inhibitor GENERAL ELECTRIC COMPANY (US) 1993-04-27 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 (3 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-20170152234-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES MYLK2, TOP2A, PYGM DPP4 4540/4885NR1H2 3606/4885NR1H3 3507/4885
US-10301270-B2 Compositions and methods for quadricyclane modification of biomolecules MYLK2, TOP2A, PYGM DPP4 4540/4885NR1H2 3606/4885NR1H3 3507/4885
US-20130244267-A1 COMPOSITIONS AND METHODS FOR QUADRICYCLANE MODIFICATION OF BIOMOLECULES MYLK2, TOP2A, PYGM DPP4 4540/4885NR1H2 3606/4885NR1H3 3507/4885

“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.