SCHEMBL17664547

SCHEMBL17664547

CNc1ccc(CCN2CCC(O)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 3/20 0.62
▸ HRH3 Q9Y5N1 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACHE P22303 1/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ LTA4H P09960 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA13 Q8N1Q1 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CCR3 P51677 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HTR2A P28223 2/20 0.43

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
SCHEMBL23711033 0.86 HRH3 (0.71) SPHK1HRH3L3MBTL1ACHECA12
SCHEMBL17660231 0.84 SPHK1 (0.58) SPHK1HRH3L3MBTL1ACHESPHK2
SCHEMBL13489995 0.82 SPHK1 (0.50) SPHK1HRH3ACHECCR3SIGMAR1
SCHEMBL15922472 0.82 SPHK1 (0.68) SPHK1HRH3ACHELTA4HKCNH2
SCHEMBL13006766 0.82 HRH3 (0.65) HRH3L3MBTL1LTA4HHRH1SIGMAR1
SCHEMBL5943690 0.81 SPHK1 (0.55) SPHK1SPHK2LMNAHTR2AHTR2C
SCHEMBL15242106 0.80 HRH3 (0.65) HRH3L3MBTL1LTA4HHRH1SIGMAR1
SCHEMBL14100275 0.80 SPHK1 (0.65) SPHK1HRH3ACHELTA4HKCNH2
SCHEMBL14100186 0.80 SPHK1 (0.53) SPHK1HRH3L3MBTL1ACHESPHK2
SCHEMBL1457116 0.79 HTR2A (0.64) SPHK1HTR2AHTR2CHTR7HTR6

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-9321766-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 — — US disclosed
US-20160096832-A1 KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 — — US 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-20160096832-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 SPHK1 808/4885HRH3 3666/4885L3MBTL1 2164/4885

“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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