SCHEMBL5739672

SCHEMBL5739672

CCOC(=O)c1cc(NC(=O)CCCl)c2[nH]cc(CC)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GAA P10253 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL5220072 0.94 ALDH1A1 (0.41) MTNR1AMTNR1BKDM4ENPC1RAB9A
SCHEMBL5739741 0.91 ALDH1A1 (0.39) MTNR1AMTNR1BKDM4ENPC1GAA
SCHEMBL5217389 0.83 ALDH1A1 (0.42) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL5305638 0.81 KDM4E (0.40) KDM4ENPC1RAB9AGAAPOLB
SCHEMBL5221333 0.79 HPGD (0.36) KDM4ERAB9ASMN1; SMN2GAACYP1A2
SCHEMBL27648335 0.78 HPGD (0.47) KDM4ERAB9ASMN1; SMN2GAACYP1A2
SCHEMBL5218597 0.78 HPGD (0.36) KDM4EGAACYP1A2CYP2C19CA12
SCHEMBL5720772 0.77 RAB9A (0.48) NPC1RAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL5740009 0.75 JAK3 (0.40) KDM4ERAB9ASMN1; SMN2GAACYP1A2
SCHEMBL22100543 0.74 RAB9A (0.49) KDM4ENPC1RAB9ASMN1; SMN2GAA

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
US-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 — — US disclosed
CN-1809573-A Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-07-26 — — CN disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 — — EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 — — 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 MTNR1A 425/4885MTNR1B 519/4885KDM4E 2053/4885

“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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