SCHEMBL13368729

SCHEMBL13368729

Cc1ccc2c(c1)C1CN(C)CCC1N2/C=C/c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 1.00
▸ HRH1 P35367 1/20 0.77
▸ ALDH1A1 P00352 3/20 0.57
▸ GAA P10253 2/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ MAPT P10636 5/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL13368740 0.87 HTR6 (1.00) HTR6HRH1ALDH1A1GAAAPOBEC3A
SCHEMBL12868637 0.81 HTR6 (0.67) HTR6HRH1ALDH1A1GAAAPOBEC3A
SCHEMBL30945715 0.80 SMN1; SMN2 (0.72) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL30095951 0.79 HTR6 (0.64) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL30095888 0.79 HTR6 (0.64) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL13368730 0.76 HTR6 (0.60) HTR6HRH1ALDH1A1GAAMAPT
SCHEMBL12882152 0.74 GAA (0.62) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL12868610 0.73 ALDH1A1 (0.70) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL29223991 0.72 ALDH1A1 (0.67) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G
SCHEMBL11567411 0.72 ALDH1A1 (0.56) HTR6ALDH1A1GAAAPOBEC3AAPOBEC3G

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120792-A1 Substituted 2,3,4,5-Tetrahyrdo-1H-Pyrido[4,3-B]Indoles, Methods for the Production and Use Thereof ALLA CHEM, LLC 2010-05-13 — — US 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-20100120792-A1 Substituted 2,3,4,5-Tetrahyrdo-1H-Pyrido[4,3-B]Indoles, Methods for the Production and Use Thereof HTR3C, HTR3A, HTR6 HTR6 3/4885HRH1 75/4885ALDH1A1 2039/4885

“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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