SCHEMBL2714682

SCHEMBL2714682

C#Cc1cccc(N2CCCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
HSD11B1 P28845 3/20 0.41
CNR2 P34972 2/20 0.41
PDE10A Q9Y233 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL15539388 0.98 PDE10A (0.41) HPGDHSD11B1CNR2PDE10ATDP1
SCHEMBL2949577 0.82 CTSS (0.45) HPGDHSD11B1CNR2PDE10ATSHR
SCHEMBL6838679 0.80 HSD11B1 (0.50) HPGDHSD11B1PDE10ATDP1TSHR
SCHEMBL6242988 0.80 HSD11B1 (0.50) HPGDHSD11B1PDE10ATDP1TSHR
SCHEMBL26618145 0.80 CNR2 (0.46) CNR2PDE10ATSHRTRPV3PIM1
SCHEMBL21730194 0.80 CTSS (0.46) HPGDPDE10ATSHRKDM4EL3MBTL1
SCHEMBL29907703 0.80 CTSS (0.46) HPGDPDE10ATSHRKDM4EL3MBTL1
SCHEMBL15918558 0.78 HTR3E (0.50) HPGDHSD11B1PDE10ATDP1TSHR
SCHEMBL21730383 0.76 CTSS (0.46) HPGDKDM4EPIM1PIM3PIM2
SCHEMBL15538211 0.76 PDE10A (0.41) HSD11B1PDE10ATDP1KDM4EGAA

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-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 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 (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-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 HPGD 1753/4885HSD11B1 2156/4885CNR2 4358/4885

“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.