SCHEMBL5403785

SCHEMBL5403785

CCCC(CCC)(NC(=O)OC(C)(C)C)C(=O)NCCN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.43
▸ DRD4 P21917 3/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CACNA1H O95180 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38

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
SCHEMBL24030098 0.83 DRD2 (0.47) DRD2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4024516 0.79 DRD2 (0.56) DRD2MEN1KMT2AACHEBACE1
SCHEMBL7220892 0.78 DRD2 (0.55) DRD2MEN1KMT2AALDH1A1KDM4E
SCHEMBL485945 0.78 DRD2 (0.55) DRD2MEN1KMT2AALDH1A1KDM4E
SCHEMBL31301250 0.76 DRD2 (0.56) DRD2MEN1KMT2ACACNA1HCD274
SCHEMBL24172673 0.76 DRD2 (0.56) DRD2MEN1KMT2ACACNA1HCD274
SCHEMBL5406900 0.74 DRD2 (0.53) DRD2MEN1KMT2AALDH1A1ACHE
SCHEMBL24029964 0.74 DRD2 (0.49) DRD2DRD4CACNA1HCD274POLB
SCHEMBL31301242 0.73 DRD2 (0.63) DRD2MEN1KMT2AALDH1A1CACNA1H
SCHEMBL4118080 0.72 DRD2 (0.49) DRD2ACHEBACE1CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — US disclosed
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 — — 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 DRD2 3203/4885DRD4 4516/4885MEN1 1713/4885

“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.

Send feedback