SCHEMBL12868282

SCHEMBL12868282

Cc1ccc2c(c1)[C@@H]1CN(C)C[C@@H]1N2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
HTR6 P50406 1/20 0.48
HDAC6 Q9UBN7 2/20 0.43
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL10127804 0.88 GAA (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL10127936 0.88 GAA (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL10127868 0.88 GAA (0.57) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL12868246 0.86 GAA (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL11086209 0.84 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL12882152 0.78 GAA (0.62) ALDH1A1MAPTGAAAPOBEC3AAPOBEC3G
SCHEMBL8036541 0.77 GAA (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL10128040 0.77 GAA (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL12868259 0.77 GAA (0.41) ALDH1A1MAPTGAAAPOBEC3AAPOBEC3G
SCHEMBL10128059 0.76 GAA (0.48) ALDH1A1MAPTKDM4ESMN1; SMN2GAA

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-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
WO-2008026965-A1 SUBSTITUTED PYRROLO[4,3-B]INDOLES, COMBINATORIAL AND FOCUSED LIBRARIES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-03-06 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 ALDH1A1 1538/4885MAPT 3757/4885KDM4E 3900/4885

“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.