SCHEMBL3206294

SCHEMBL3206294

COc1cccc(OC)c1CNCc1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HPGD P15428 1/20 0.50
▸ RCE1 Q9Y256 1/20 0.50
▸ ADRA2B P18089 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CHRM2 P08172 11/20 0.47
▸ BCHE P06276 5/20 0.47
▸ GRIN1 Q05586 4/20 0.47
▸ GRIN2A Q12879 4/20 0.47
▸ ACHE P22303 4/20 0.47
▸ CHRM4 P08173 3/20 0.47
▸ CHRM5 P08912 3/20 0.47
▸ CHRM1 P11229 3/20 0.47
▸ CHRM3 P20309 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 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
SCHEMBL3198039 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDRCE1TDP1
SCHEMBL4629157 0.86 KDM4E (0.67) ALDH1A1KDM4ETDP1CHRM2BCHE
SCHEMBL3220995 0.81 HTR2A (0.44) ALDH1A1KDM4ECYP3A4CYP2D6GAA
SCHEMBL2129001 0.78 TSHR (0.52) ALDH1A1KDM4EHPGDRCE1CHRM2
SCHEMBL5695121 0.77 ALDH1A1 (0.79) ALDH1A1KDM4ETDP1CHRM2BCHE
SCHEMBL3197983 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1CYP3A4CYP2D6
SCHEMBL2782788 0.73 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1CHRM2BCHE
SCHEMBL22716808 0.73 HTT (0.50) TDP1CHRM2BCHEGRIN1GRIN2A
SCHEMBL10388544 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDRCE1ADRA2B
SCHEMBL7000552 0.72 KDM4E (0.69) ALDH1A1KDM4ETDP1BCHECYP3A4

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 — — US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 — — US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 — — EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 — — 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 (2 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885KDM4E 3028/4885HPGD 1244/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885KDM4E 3028/4885HPGD 1244/4885

“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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