SCHEMBL12868238

SCHEMBL12868238

Cc1ccc2c(c1)[C@@H]1CN(C)C[C@@H]1N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ CYP2D6 P10635 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30095888 0.86 HTR6 (0.64) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL30095951 0.86 HTR6 (0.64) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL12868275 0.83 ALDH1A1 (0.54) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL13356254 0.83 ALDH1A1 (0.54) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL5020544 0.78 ALDH1A1 (0.46) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL20370870 0.78 SRD5A1 (0.46) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL12868289 0.77 ALDH1A1 (0.56) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL20370875 0.77 SRD5A1 (0.44) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL20370873 0.77 SRD5A1 (0.44) HTR6ALDH1A1CYP2D6MEN1KMT2A
SCHEMBL12868282 0.76 ALDH1A1 (0.51) HTR6ALDH1A1CYP2D6MEN1KMT2A

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
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 HTR6 1/4885ALDH1A1 1538/4885CYP2D6 135/4885

“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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