SCHEMBL13105233

SCHEMBL13105233

CC(C)NC(=O)C1CN(Cc2ccccc2)C[C@@H]1CO

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.51
▸ BCHE P06276 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ S1PR5 Q9H228 3/20 0.43
▸ S1PR1 P21453 2/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP2D6 P10635 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
SCHEMBL3369882 1.00 GBA1 (0.51) GBA1BCHEMAOBS1PR5S1PR1
SCHEMBL3369886 1.00 GBA1 (0.51) GBA1BCHEMAOBS1PR5S1PR1
SCHEMBL2937649 0.90 RORC (0.44) GBA1BCHEMAOBS1PR5S1PR1
SCHEMBL2937648 0.90 RORC (0.44) GBA1BCHEMAOBS1PR5S1PR1
SCHEMBL28249935 0.79 GBA1 (0.58) GBA1S1PR5S1PR1TSHR
SCHEMBL3371156 0.76 GBA1 (0.56) GBA1S1PR5S1PR1ALDH1A1
SCHEMBL13105230 0.76 GBA1 (0.56) GBA1S1PR5S1PR1ALDH1A1
SCHEMBL3371158 0.76 GBA1 (0.56) GBA1S1PR5S1PR1ALDH1A1
SCHEMBL1190716 0.76 GBA1 (0.75) GBA1S1PR5S1PR1
SCHEMBL742926 0.76 GBA1 (0.75) GBA1S1PR5S1PR1

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-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 — — US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 — — 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-20080194549-A1 Organic Compounds REN, ACE, OTC GBA1 1341/4885BCHE 1374/4885MAOB 68/4885

“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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