SCHEMBL12868275

SCHEMBL12868275

CC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)C[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ APOBEC3A P31941 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ F2 P00734 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
SCHEMBL13356254 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL10128070 0.88 ALDH1A1 (0.60) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL10127902 0.88 ALDH1A1 (0.60) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL12868289 0.84 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL11089644 0.84 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL12868238 0.83 HTR6 (0.51) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL12868271 0.82 LMNA (0.59) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL12882701 0.81 MAPT (0.66) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL29223991 0.79 ALDH1A1 (0.67) ALDH1A1MAPK1MAPTLMNATSHR
SCHEMBL12868618 0.77 ALDH1A1 (0.65) ALDH1A1MAPK1MAPTLMNATSHR

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 1538/4885MAPK1 1751/4885MAPT 3757/4885

“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.

Send feedback