SCHEMBL17660231

SCHEMBL17660231

CC(C)Nc1ccc(CCN2CCC(O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 3/20 0.58
▸ HRH3 Q9Y5N1 3/20 0.48
▸ SPHK2 Q9NRA0 1/20 0.45
▸ ACHE P22303 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ AVPR1B P47901 1/20 0.43
▸ KCNA3 P22001 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ CA5A P35218 1/20 0.42
▸ CA7 P43166 1/20 0.42

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
SCHEMBL17664547 0.84 SPHK1 (0.62) SPHK1HRH3SPHK2ACHELMNA
SCHEMBL17660229 0.81 SPHK1 (0.62) SPHK1HRH3ACHEL3MBTL1HTR2A
SCHEMBL12606897 0.79 SIGMAR1 (0.51) HRH3L3MBTL1AVPR1B
SCHEMBL15922472 0.79 SPHK1 (0.68) SPHK1HRH3ACHELTA4HKCNH2
SCHEMBL5943690 0.77 SPHK1 (0.55) SPHK1SPHK2LMNAHTR2AHTR2C
SCHEMBL14100275 0.77 SPHK1 (0.65) SPHK1HRH3ACHEHTR2AHTR2C
SCHEMBL14100186 0.76 SPHK1 (0.53) SPHK1HRH3SPHK2ACHELMNA
SCHEMBL24495209 0.75 SPHK1 (0.63) SPHK1HRH3ACHEHTR2AHTR2C
SCHEMBL1457116 0.75 HTR2A (0.64) SPHK1HTR2AHTR2CHTR7
SCHEMBL2761933 0.75 SPHK1 (0.63) SPHK1HRH3ACHEHTR2AHTR2C

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 3666/4885SPHK2 839/4885

“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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