SCHEMBL2593829

SCHEMBL2593829

Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 1.00
AKR1B1 P15121 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
GRIN1 Q05586 3/20 0.68
GRIN2A Q12879 3/20 0.68
GRIN2D O15399 2/20 0.68
GRIN3B O60391 2/20 0.68
GRIN2B Q13224 2/20 0.68
GRIN2C Q14957 2/20 0.68
GRIN3A Q8TCU5 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.60
HTR6 P50406 1/20 0.56

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
SCHEMBL14258738 0.89 ACHE (0.80) ACHEAKR1B1HDAC1HDAC6GRIN1
SCHEMBL11183259 0.86 ACHE (0.76) ACHEAKR1B1HTR6
SCHEMBL11186197 0.85 ACHE (0.74) ACHEAKR1B1HDAC1HDAC6HTR6
SCHEMBL8359525 0.85 ACHE (0.73) ACHEAKR1B1HDAC1HDAC6GRIN1
SCHEMBL11208411 0.85 ACHE (1.00) ACHEAKR1B1HDAC1HDAC6
SCHEMBL633048 0.84 ACHE (1.00) ACHEAKR1B1HDAC1HDAC6
Hydrochloric Acid SCHEMBL7137005 0.84 ACHE (0.98) ACHEAKR1B1HDAC1HDAC6
SCHEMBL2188030 0.83 ACHE (0.76) ACHEHDAC1HDAC6GRIN1GRIN2A
SCHEMBL60976 0.82 AKR1B1 (0.74) ACHEAKR1B1HDAC1HDAC6HTR6
SCHEMBL4892784 0.82 ACHE (0.80) ACHEAKR1B1HDAC1HDAC6HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011139242-A2 PROCESS FOR THE PREPARATION OF 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE DERIVATIVES USTAV EXPIREMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV (SK) 2011-11-10 WO disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 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-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B ACHE 530/4885AKR1B1 1901/4885HDAC1 2402/4885

“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.