SCHEMBL13699070

SCHEMBL13699070

CC(C)CCOCCc1ccc2nc(N)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
BACE1 P56817 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
AAK1 Q2M2I8 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAD52 P43351 1/20 0.38
UBE2N P61088 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 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
SCHEMBL13699194 0.85 TUBB4A (0.46) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL13486446 0.78 KDM4E (0.54) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL5924403 0.76 BACE1 (0.53) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL3500728 0.74 S1PR4 (0.59) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL240221 0.73 TYMS (0.60) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL12686275 0.71 PLAU (0.58) PLAUHTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL23201245 0.70 PLAU (0.56) PLAUHTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL30882573 0.70 PLAU (0.56) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL727388 0.70 PLAU (0.61) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL4779966 0.68 TYMS (0.55) PLAUHTR3EHTR3BHTR3ABACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (2 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 PLAU 3227/4885HTR3E 3544/4885HTR3B 2738/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 PLAU 4176/4885HTR3E 3049/4885HTR3B 2156/4885

“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.