SCHEMBL3604732

SCHEMBL3604732

CN1CCCC(NC(=O)c2cc3ccc(N(C)C)cc3[nH]2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.49
USP30 Q70CQ3 1/20 0.47
ROCK2 O75116 2/20 0.45
PBK Q96KB5 3/20 0.44
MLLT1 Q03111 1/20 0.44
SYK P43405 1/20 0.44
ROCK1 Q13464 1/20 0.42
CFTR P13569 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
KDM5A P29375 1/20 0.41
PYGL P06737 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
SCHEMBL3604730 1.00 GHSR (0.49) GHSRUSP30ROCK2PBKMLLT1
SCHEMBL3602232 0.94 ROCK2 (0.50) GHSRUSP30ROCK2MLLT1ROCK1
SCHEMBL3602235 0.94 ROCK2 (0.50) GHSRUSP30ROCK2MLLT1ROCK1
SCHEMBL3597598 0.84 GHSR (0.59) GHSRMLLT1KDM4EHSD17B10KDM5A
SCHEMBL3597601 0.84 GHSR (0.59) GHSRMLLT1KDM4EHSD17B10KDM5A
SCHEMBL3611633 0.81 CDK2AP1 (0.50) GHSRPBKMLLT1SYKHDAC3
SCHEMBL3611629 0.81 CDK2AP1 (0.50) GHSRPBKMLLT1SYKHDAC3
SCHEMBL3607516 0.78 ALOX15 (0.56) USP30ROCK2PYGL
SCHEMBL3608594 0.78 ALOX15 (0.56) USP30ROCK2PYGL
SCHEMBL3607511 0.78 ALOX15 (0.56) USP30ROCK2PYGL

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
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US claimed
WO-2009158375-A1 AZA-CYLIC INDOLE- 2 -CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-30 WO claimed
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT GHSR 2639/4885USP30 1976/4885ROCK2 544/4885

“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.