SCHEMBL476458

SCHEMBL476458

CC(N)N1CCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.37
FDPS P14324 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
KCNA5 P22460 2/20 0.32
CYP2C19 P33261 2/20 0.32
KCNH2 Q12809 2/20 0.32
KCNE1 P15382 1/20 0.32

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
SCHEMBL633836 1.00
SCHEMBL190387 0.97
Hydrochloric Acid SCHEMBL9031347 0.94 SMN1; SMN2 (0.32) DPP7SMN1; SMN2
SCHEMBL20908243 0.90
SCHEMBL7142061 0.83 CYP2D6 (0.32) DPP7CYP2D6
SCHEMBL20661653 0.83
SCHEMBL179841 0.83 CYP2D6 (0.32) DPP7CYP2D6
SCHEMBL3416020 0.83
SCHEMBL20657386 0.80
SCHEMBL2412914 0.78

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 US disclosed
US-10377717-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2019-08-13 US disclosed
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-04-19 US disclosed
WO-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US disclosed
EP-2411364-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
EP-2411367-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-01 EP disclosed
EP-2411368-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-02-01 EP disclosed
WO-2010109115-A1 ANTICANCER COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109122-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
WO-2010109123-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-30 WO 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 (5 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-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 DPP7 1036/4885FDPS 46/4885SMN1; SMN2 4590/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 DPP7 1036/4885FDPS 46/4885SMN1; SMN2 4590/4885
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 DPP7 1947/4885FDPS 127/4885SMN1; SMN2 1569/4885
US-20120094986-A1 ANTICANCER DERIVIATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF NAMPT, NQO1, NNT DPP7 1107/4885FDPS 184/4885SMN1; SMN2 2714/4885
US-10377717-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 DPP7 1036/4885FDPS 46/4885SMN1; SMN2 4590/4885

“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.