SCHEMBL3607328

SCHEMBL3607328

O=C(N[C@H]1CCCNC1)c1cc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 1/20 0.54
PARP1 P09874 1/20 0.53
CHRNA1 P02708 1/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA4 P43681 1/20 0.52
KDR P35968 1/20 0.52
GHSR Q92847 3/20 0.51
CYP1A2 P05177 1/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
SCN4A P35499 1/20 0.51
SCN9A Q15858 1/20 0.51
CHRNA7 P36544 1/20 0.50
HTR3A P46098 1/20 0.50
FAAH O00519 1/20 0.50
HSD17B10 Q99714 2/20 0.49
PYGL P06737 1/20 0.49

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
SCHEMBL3320269 1.00 MLLT1 (0.54) MLLT1PARP1CHRNA1CHRNB2CHRNB4
SCHEMBL3320273 1.00 MLLT1 (0.54) MLLT1PARP1CHRNA1CHRNB2CHRNB4
SCHEMBL3603283 0.92 KDR (0.59) MLLT1PARP1KDRKDM4EALDH1A1
SCHEMBL3603280 0.92 KDR (0.59) MLLT1PARP1KDRKDM4EALDH1A1
SCHEMBL76132 0.87 MLLT1 (0.69) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL75198 0.87 MLLT1 (0.65) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL3608854 0.86 PBK (0.50) MLLT1PARP1CHRNA1CHRNB2CHRNB4
SCHEMBL3608856 0.86 PBK (0.50) MLLT1PARP1CHRNA1CHRNB2CHRNB4
SCHEMBL19837645 0.85 MLLT1 (0.67) MLLT1KDM4EALDH1A1GAAMAPK1
SCHEMBL74832 0.85 MLLT1 (0.67) MLLT1KDM4EALDH1A1GAAMAPK1

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 MLLT1 2603/4885PARP1 156/4885CHRNA1 876/4885

“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.