SCHEMBL5785671

SCHEMBL5785671

CN1CCN(C(=O)c2cn(-c3cccnc3)c(-c3ccccc3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
CCKAR P32238 13/20 0.52
HRH4 Q9H3N8 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL5781827 0.90 GABRA2 (0.53) ALDH1A1HTTGABRA2GABRB2CCKAR
SCHEMBL5782229 0.84 GABRA2 (0.51) GABRA2GABRB2CCKAR
SCHEMBL26986788 0.82 GABRA2 (0.56) GABRA2GABRB2CCKAR
SCHEMBL5782557 0.81 GABRA2 (0.56) GABRA2GABRB2CCKAR
SCHEMBL5781289 0.80 GABRA2 (0.56) ALDH1A1GABRA2GABRB2SMN1; SMN2
SCHEMBL5782633 0.79 CCKAR (0.53) GABRA2GABRB2CCKAR
SCHEMBL2918283 0.77 ALDH1A1 (0.55) ALDH1A1HTTPOLB
SCHEMBL5784621 0.76 CCKAR (0.50) GABRA2GABRB2CCKAR
SCHEMBL5780829 0.76 CCKAR (0.52) GABRA2GABRB2CCKAR
SCHEMBL5783585 0.75 GABRA2 (0.83) ALDH1A1GABRA2GABRB2NPC1RAB9A

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-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 ALDH1A1 251/4885HTT 2548/4885GABRA2 3363/4885

“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.