SCHEMBL5227564

SCHEMBL5227564

C1=CCN(c2cccc(Cc3ccccc3)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CALM1 P0DP23 1/20 0.46
PRMT6 Q96LA8 1/20 0.44
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
IDH1 O75874 1/20 0.41
AGXT P21549 3/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
DRD4 P21917 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
OPRM1 P35372 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
SCHEMBL7265455 0.81 PRMT6 (0.66) SLC6A2SLC6A4SLC6A3PRMT6DRD2
SCHEMBL5230087 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CALM1PRMT6
SCHEMBL21791733 0.77 FAAH (0.43) CALM1DRD4
SCHEMBL7613502 0.73 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL1975101 0.73 LMNA (0.50) DRD2SIGMAR1HTR1ADRD4
SCHEMBL13971231 0.73 CALM1 (0.75) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL11398863 0.72 GSK3A (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL31644666 0.70 AGXT (0.46) PRMT6DRD2DRD3AGXTITGB3
SCHEMBL21140984 0.70 KDM4E (0.59) CALM1IDH1PRSS1PRSS2PRSS3
SCHEMBL399652 0.69 MAOB (0.68) CALM1IDH1PRSS1PRSS2PRSS3

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
EP-1375496-B1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT EISAI R&D MAN CO LTD (JP) 2007-07-04 EP disclosed
US-7112593-B2 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI CO., LTD. (JP) 2006-09-26 US disclosed
US-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-15 US disclosed
EP-1375496-A1 N-ARYL-SUBSTITUTED CYCLIC AMINE DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2004-01-02 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-20040072830-A1 N-aryl-substituted cyclic amine derivative and medicine containing the same as active ingredient COASY, HCCS, SQLE SLC6A2 2017/4885SLC6A4 2865/4885SLC6A3 3284/4885

“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.