SCHEMBL3612490

SCHEMBL3612490

O=C(N[C@@H]1CCCNC1)c1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.50
CHRNA1 P02708 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA4 P43681 1/20 0.49
MLLT1 Q03111 1/20 0.48
PBK Q96KB5 8/20 0.48
PARP1 P09874 1/20 0.45
MAPK1 P28482 1/20 0.45
OPRK1 P41145 1/20 0.45
GHSR Q92847 2/20 0.43
CYP1A2 P05177 1/20 0.43
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL3612493 1.00 DRD4 (0.50) DRD4CHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL3599029 0.93 DRD4 (0.52) DRD4CHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL3599027 0.93 DRD4 (0.52) DRD4CHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL3599033 0.93 DRD4 (0.52) DRD4CHRNA1CHRNB2CHRNB4CHRNA4
SCHEMBL20535296 0.88 MLLT1 (0.57) DRD4MLLT1HRH4
SCHEMBL29176327 0.88 MLLT1 (0.61) DRD4MLLT1HRH4
SCHEMBL29176357 0.87 MLLT1 (0.60) DRD4MLLT1HRH4
SCHEMBL18183271 0.87 MLLT1 (0.60) DRD4MLLT1HRH4
SCHEMBL3605105 0.86 ALOX15 (0.54) MLLT1PBKPARP1
SCHEMBL3605108 0.86 ALOX15 (0.54) MLLT1PBKPARP1

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 DRD4 2343/4885CHRNA1 876/4885CHRNB2 743/4885

“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.