SCHEMBL12868596

SCHEMBL12868596

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.66
▸ ALDH1A1 P00352 4/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ LMNA P02545 3/20 0.62
▸ TSHR P16473 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MCL1 Q07820 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ GAA P10253 1/20 0.55
▸ APOBEC3A P31941 1/20 0.55
▸ APOBEC3G Q9HC16 1/20 0.55

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
SCHEMBL12868646 0.91 ALDH1A1 (0.64) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868638 0.88 ALDH1A1 (0.66) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868663 0.87 ALDH1A1 (0.65) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868674 0.87 ALDH1A1 (0.65) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868618 0.87 ALDH1A1 (0.65) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL29223991 0.86 ALDH1A1 (0.67) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868647 0.83 MAPT (0.66) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868628 0.82 ALDH1A1 (0.62) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868656 0.82 ALDH1A1 (0.62) MAPTALDH1A1MAPK1LMNATSHR
SCHEMBL12868610 0.81 ALDH1A1 (0.70) MAPTALDH1A1MAPK1LMNATSHR

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 4 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

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 MAPT 3757/4885ALDH1A1 1538/4885MAPK1 1751/4885

“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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