SCHEMBL13320191

SCHEMBL13320191

O=C(O)c1ccc2[nH]c3c(c2c1)CNCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 3/20 0.59
TAAR1 Q96RJ0 1/20 0.54
RAD52 P43351 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
PARP1 P09874 3/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRB P10828 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47

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 SCHEMBL2838135 0.99 MAPT (0.60) MAPTHSD17B10POLBTDP1L3MBTL1
SCHEMBL3727004 0.87 HTR1B (0.61) MAPTHSD17B10POLBTDP1L3MBTL1
SCHEMBL14258614 0.84 KMT2A (0.63) MAPTHSD17B10POLBKMT2ATAAR1
SCHEMBL14258765 0.81 KMT2A (0.72) MAPTHSD17B10POLBL3MBTL1KMT2A
SCHEMBL1586929 0.81 MAPT (0.70) MAPTHSD17B10POLBTDP1L3MBTL1
SCHEMBL4283723 0.81 MAPT (0.66) MAPTHSD17B10POLBTDP1L3MBTL1
SCHEMBL29643236 0.81 MAPT (0.70) MAPTHSD17B10POLBTDP1L3MBTL1
SCHEMBL10738593 0.79 MAPT (0.68) MAPTHSD17B10POLBTDP1L3MBTL1
SCHEMBL30228634 0.79 TAAR1 (0.59) HSD17B10KMT2ATAAR1RAD52SIRT2
Hydrochloric Acid SCHEMBL8508190 0.78 TAAR1 (0.62) HSD17B10KMT2ATAAR1RAD52SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
WO-2010057104-A2 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
WO-2008036021-A1 TETRAHYDRO-LH-PYRIDO [3,4 -B] INDOLE DERIVATIVES AS CBL RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed
WO-2008036022-A1 TETRAHYDRO-LH-PYRIDO[3,4-B] INDOLE DERIVATIVES AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 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 (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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 MAPT 2193/4885HSD17B10 3639/4885POLB 4820/4885
US-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE GRIN3A, GRIK5, CHRNA5 MAPT 999/4885HSD17B10 2183/4885POLB 3541/4885

“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.