SCHEMBL7222041

SCHEMBL7222041

CCOC(=O)CCc1c(-c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A2 P11168 1/20 0.63
▸ GABRA1 P14867 1/20 0.63
▸ GABRA5 P31644 1/20 0.63
▸ GABRB2 P47870 1/20 0.63
▸ KDM4E B2RXH2 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ KCNK3 O14649 4/20 0.53
▸ KCNK9 Q9NPC2 4/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53

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
SCHEMBL1430614 0.90 SLC2A2 (0.77) SLC2A2GABRA1GABRA5GABRB2KDM4E
SCHEMBL3613601 0.80 SLC2A2 (0.69) SLC2A2KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL7222018 0.80 GABRA1 (0.59) GABRA1GABRA5GABRB2KDM4ESMN1; SMN2
SCHEMBL1430240 0.78 GABRA1 (0.55) SLC2A2GABRA1GABRA5GABRB2KDM4E
SCHEMBL1430131 0.78 GABRA1 (0.53) SLC2A2GABRA1GABRA5GABRB2KDM4E
SCHEMBL8208 0.78 KDM4E (0.64) SLC2A2GABRA1GABRA5GABRB2KDM4E
SCHEMBL17719060 0.77 SLC2A2 (1.00) SLC2A2GABRB2ALDH1A1GAAHPGD
Saripidem SCHEMBL1061054 0.77 GABRB2 (1.00) GABRA1GABRA5GABRB2KDM4ESMN1; SMN2
SCHEMBL23624072 0.77 SLC2A2 (0.82) SLC2A2GABRB2KDM4EALDH1A1GAA
SCHEMBL1433237 0.77 KCNK3 (0.54) SLC2A2GABRA1GABRA5GABRB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514969-B2 Alzheimer's diseas, Parkinson disease, Huntington disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-04 — — US disclosed
US-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-11 — — 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-20020042420-A1 Beta-amyloid inhibitors, processes for preparing them, and their use in pharmaceutical compositions HTT, APP, BACE1 SLC2A2 931/4885GABRA1 2063/4885GABRA5 2528/4885

“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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