SCHEMBL3243814

SCHEMBL3243814

COC(=O)c1ccc2c(C(=O)CCl)c[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
NPC1 O15118 1/20 0.64
NR4A2 P43354 5/20 0.58
RAB9A P51151 4/20 0.56
LMNA P02545 3/20 0.56
MITF O75030 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
EIF2AK2 P19525 1/20 0.51
ASH1L Q9NR48 1/20 0.49
KIF11 P52732 1/20 0.49
CREBBP Q92793 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
GPR84 Q9NQS5 1/20 0.48
PARP1 P09874 1/20 0.46
TUBB1 Q9H4B7 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
SCHEMBL7416222 0.89 NPC1 (0.64) MAPTNPC1NR4A2RAB9AMEN1
SCHEMBL6418495 0.87 NR4A2 (0.72) MAPTNPC1NR4A2RAB9AEIF2AK2
SCHEMBL30899481 0.85 NPC1 (0.66) NPC1NR4A2RAB9AEIF2AK2ASH1L
SCHEMBL4780495 0.85 NPC1 (0.66) NPC1NR4A2RAB9AEIF2AK2ASH1L
SCHEMBL7467042 0.85 NPC1 (0.60) MAPTNPC1NR4A2RAB9AMEN1
SCHEMBL7539248 0.85 NPC1 (0.60) MAPTNPC1NR4A2RAB9AEIF2AK2
SCHEMBL3245120 0.84 NPC1 (0.62) MAPTNPC1NR4A2RAB9AEIF2AK2
SCHEMBL13869543 0.84 MAPT (0.63) MAPTNPC1NR4A2RAB9ALMNA
SCHEMBL30697204 0.84 NPC1 (0.64) NPC1NR4A2RAB9AMEN1KMT2A
SCHEMBL2493105 0.84 NPC1 (0.64) NPC1NR4A2RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
CN-101490039-A 1H-indol-6-yl-piperazin-1-yl-methanone-derivatives for use as H3 receptor modulators HOFFMANN LA ROCHE (CH) 2009-07-22 CN disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 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-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HTR6, HTR1A, HRH4 MAPT 2027/4885NPC1 1039/4885NR4A2 431/4885

“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.