SCHEMBL12868337

SCHEMBL12868337

CCCCN1CCc2c(c3ccccc3n2Cc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
CHRM2 P08172 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
CHRM1 P11229 1/20 0.70
DRD1 P21728 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRM1 P35372 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
KCNH2 Q12809 1/20 0.70
ALDH1A1 P00352 1/20 0.68
GAA P10253 1/20 0.68
TSHR P16473 1/20 0.68
HTR5A P47898 4/20 0.62
HDAC6 Q9UBN7 6/20 0.58
HDAC1 Q13547 4/20 0.58

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
SCHEMBL3716587 0.88 MEN1 (0.78) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL2355269 0.83 MEN1 (0.70) MEN1KMT2ACHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL29802 0.82 ADRA2A (1.00) MEN1KMT2ACHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL29808874 0.82 ADRA2A (1.00) MEN1KMT2ACHRM2HTR1AADRA2A
Mebhydrolin SCHEMBL2141004 0.81 ALDH1A1 (1.00) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL24630759 0.81 ADRA2A (0.77) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL30704369 0.80 HTR5A (0.70) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL3717936 0.79 MEN1 (0.65) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL3721549 0.78 GRIN2B (0.66) MEN1KMT2ACHRM2HTR1AADRA2A
SCHEMBL8038611 0.78 CHRM2 (0.85) MEN1KMT2ACHRM2HTR1AADRA2A

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
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-2008123800-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES ALLA CHEM, LLC (US) 2008-10-16 WO 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 MEN1 1034/4885KMT2A 3892/4885CHRM2 35/4885

“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.