SCHEMBL5228372

SCHEMBL5228372

C#CN(C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.41
ADH1C P00326 3/20 0.41
PHGDH O43175 2/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ADH1B P00325 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19177541 0.97
SCHEMBL19178332 0.95
SCHEMBL17745126 0.86
SCHEMBL11832863 0.74 PHGDH (0.41) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL11082149 0.74 ADH1A (0.41) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL1679240 0.74 ADH1A (0.46) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL303775 0.74 ADH1A (0.46) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL1678871 0.74 ADH1A (0.46) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL1582844 0.72 ADH1A (0.35) ADH1AADH1CPHGDHFAAHMGLL
SCHEMBL304640 0.70

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 ADH1A 332/4885ADH1C 392/4885PHGDH 689/4885

“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.