SCHEMBL17812869

SCHEMBL17812869

CC(C)c1ccc2ncc(CN(C)C)n2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
ALDH1A1 P00352 2/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC2A1 P11166 1/20 0.30

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
SCHEMBL17815897 0.80 POLB (0.69) POLBALDH1A1TGFBR1CYP1A2
SCHEMBL26176327 0.78 POLB (0.68) POLBALDH1A1MEN1KMT2ATGFBR1
SCHEMBL3765749 0.78 POLB (0.68) POLBALDH1A1MEN1KMT2ATGFBR1
SCHEMBL21729418 0.78 POLB (0.38) POLBDGAT1MEN1KMT2ATGFBR1
SCHEMBL19788243 0.77 POLB (0.66) POLBALDH1A1TGFBR1MAPTMAPK1
SCHEMBL2259799 0.75 POLB (0.37) POLBTGFBR1
SCHEMBL22521532 0.74 TGFBR1 (0.41) POLBALDH1A1DGAT1TGFBR1MAPK1
SCHEMBL13976120 0.74 LMNA (0.39) POLBDGAT1TGFBR1CYP1A2CYP2D6
SCHEMBL23511269 0.72 DGAT1 (0.40) POLBALDH1A1DGAT1MAPTRAB9A
SCHEMBL22944713 0.72 NPC1 (0.35) POLBDGAT1RAB9ACYP1A2

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-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 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-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 POLB 2322/4885ALDH1A1 1123/4885DGAT1 2976/4885

“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.