SCHEMBL12868674

SCHEMBL12868674

CCCCCCCC(=O)N1c2ccc(C)cc2C2CN(C)CCC21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ MAPT P10636 5/20 0.59
▸ MAPK1 P28482 2/20 0.57
▸ LMNA P02545 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ POLB P06746 2/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MCL1 Q07820 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ GAA P10253 1/20 0.50
▸ APOBEC3A P31941 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL12868663 1.00 ALDH1A1 (0.65) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868638 0.99 ALDH1A1 (0.66) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868596 0.87 MAPT (0.66) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868691 0.85 ALDH1A1 (0.80) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868618 0.79 ALDH1A1 (0.65) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868647 0.78 MAPT (0.66) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL12868628 0.77 ALDH1A1 (0.62) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868656 0.77 ALDH1A1 (0.62) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL10128070 0.75 ALDH1A1 (0.60) ALDH1A1KDM4ENPSR1MAPTMAPK1
SCHEMBL12868685 0.74 ALDH1A1 (0.65) ALDH1A1KDM4ENPSR1MAPTMAPK1

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 3 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
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 ALDH1A1 1538/4885KDM4E 3900/4885NPSR1 48/4885

“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.

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