SCHEMBL23259461

SCHEMBL23259461

N#Cc1cc(N2CCNCC2)ccc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HTR6 P50406 3/20 0.50
LRRK2 Q5S007 1/20 0.50
MAOB P27338 1/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
XDH P47989 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45

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
SCHEMBL2767207 0.81 SLC6A4 (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL2766477 0.81 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR6
Hydrochloric Acid SCHEMBL8888785 0.80 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL2709917 0.80 DRD2 (0.60) HTR1ASLC6A4HTR6DRD2DRD3
SCHEMBL14922738 0.79 CHRNB2 (0.48) HTR1ADRD2DRD3
SCHEMBL19381516 0.79 HTR1A (0.67) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL17803618 0.78 XDH (0.49) HTR6XDH
SCHEMBL3320288 0.78 ATM (0.52) HTR6LRRK2MAOB
SCHEMBL19381132 0.78 HTR1A (0.66) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL19579576 0.78 ADRB1 (0.51) HTR1AHTR6DRD2DRD3

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-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 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 (3 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR1A 4870/4885SLC6A2 4562/4885SLC6A4 4800/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HTR1A 4766/4885SLC6A2 4426/4885SLC6A4 4797/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 HTR1A 4870/4885SLC6A2 4562/4885SLC6A4 4800/4885

“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.