SCHEMBL3607893

SCHEMBL3607893

O=C(NC1CCCCNC1)c1cc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.48
RHEB Q15382 2/20 0.44
MLLT1 Q03111 1/20 0.42
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.41
CHEK1 O14757 6/20 0.40
CDK2AP1 O14519 2/20 0.40
SMYD3 Q9H7B4 2/20 0.40
PBK Q96KB5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SYK P43405 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GHSR Q92847 1/20 0.38

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
SCHEMBL3607343 0.97 GRIN1 (0.49) GRIN1RHEBMLLT1MAPK1OPRK1
SCHEMBL3597666 0.97 GRIN1 (0.49) GRIN1RHEBMLLT1MAPK1OPRK1
SCHEMBL3597664 0.97 GRIN1 (0.49) GRIN1RHEBMLLT1MAPK1OPRK1
SCHEMBL3611191 0.92 GRIN1 (0.51) GRIN1RHEBSMYD3
SCHEMBL3603094 0.92 GRIN1 (0.51) GRIN1RHEBSMYD3
SCHEMBL3603096 0.92 GRIN1 (0.51) GRIN1RHEBSMYD3
SCHEMBL17206304 0.88 GRIN1 (0.55) GRIN1RHEBMLLT1SMYD3L3MBTL1
Trifluoroacetic Acid SCHEMBL3612509 0.85 GRIN1 (0.47) GRIN1RHEBMLLT1SMYD3
SCHEMBL3605718 0.84 GRIN1 (0.54) GRIN1RHEBMLLT1SMYD3
SCHEMBL3614233 0.82 PARP1 (0.49) MAPK1OPRK1CHEK1CDK2AP1PBK

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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 US 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 GRIN1 650/4885RHEB 2282/4885MLLT1 2603/4885

“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.