SCHEMBL311692

SCHEMBL311692

N#Cc1cccc(-c2c[nH]c(C3CCNCC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
PLAT P00750 1/20 0.45
IDO1 P14902 2/20 0.45
USP30 Q70CQ3 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
XDH P47989 1/20 0.43
CLK4 Q9HAZ1 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.42
LRRK2 Q5S007 1/20 0.41
PSD A5PKW4 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
Hydrochloric Acid SCHEMBL27796904 0.99 KDM1A (0.45) KDM1APLATIDO1USP30DRD2
SCHEMBL311507 0.85 HTR2A (0.43) KDM1APLATUSP30
Hydrochloric Acid SCHEMBL27776211 0.84 HTR2A (0.43) KDM1APLATUSP30
SCHEMBL312409 0.82 SLC18A3 (0.50)
SCHEMBL27776222 0.81 GABRA1 (0.46) KDM1APLATIDO1MAOB
Hydrochloric Acid SCHEMBL311386 0.80 SLC18A3 (0.49)
Hydrochloric Acid SCHEMBL1653372 0.80 SLC18A3 (0.49)
Hydrochloric Acid SCHEMBL311446 0.80 GABRA1 (0.45) KDM1APLATMAOB
SCHEMBL6166041 0.79 SLC18A3 (0.47)
SCHEMBL311523 0.78 MEN1 (0.62) KDM1APLATIDO1MAOB

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-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KDM1A 3854/4885PLAT 4515/4885IDO1 4787/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 KDM1A 3854/4885PLAT 4515/4885IDO1 4787/4885

“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.