SCHEMBL1808786

SCHEMBL1808786

CN1CC2CNC(=O)c3cc(N)ccc3C2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ANPEP P15144 2/20 0.34
PARP3 Q9Y6F1 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
DPP4 P27487 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1808782 1.00 CA12 (0.37) CA12CA9CA1CA2ANPEP
SCHEMBL1808784 1.00 CA12 (0.37) CA12CA9CA1CA2ANPEP
SCHEMBL2598004 0.85 PARP1 (0.39) CA1CA2KMT2A
SCHEMBL860850 0.85 PARP1 (0.39) CA1CA2KMT2A
SCHEMBL860851 0.85 PARP1 (0.39) CA1CA2KMT2A
SCHEMBL2598003 0.85 PARP1 (0.39) CA1CA2KMT2A
SCHEMBL2598124 0.84 KMT2A (0.41) CA1CA2DPP4KDM4EKMT2A
SCHEMBL861378 0.84 CDK5 (0.37) ANPEPPARP3NR1H2NR1H3CHRNB2
SCHEMBL860523 0.84 KMT2A (0.41) CA1CA2DPP4KDM4EKMT2A
SCHEMBL853484 0.84 CDK5 (0.37) ANPEPPARP3NR1H2NR1H3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-8846951-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2014-09-30 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 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-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C CA12 4343/4885CA9 4581/4885CA1 3888/4885

“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.