SCHEMBL13105230

SCHEMBL13105230

CC(C)NCC1CN(Cc2ccccc2)C[C@@H]1CO

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 6/20 0.56
▸ HTR2C P28335 1/20 0.46
▸ FUCA1 P04066 2/20 0.45
▸ PYGL P06737 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40

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
SCHEMBL3371158 1.00 GBA1 (0.56) GBA1HTR2CFUCA1PYGLALDH1A1
SCHEMBL3371156 1.00 GBA1 (0.56) GBA1HTR2CFUCA1PYGLALDH1A1
SCHEMBL2930728 0.87 RORC (0.49) GBA1HTR2CFUCA1
SCHEMBL2930730 0.87 RORC (0.49) GBA1HTR2CFUCA1
SCHEMBL14759416 0.83 GBA1 (0.75) GBA1FUCA1S1PR1S1PR5
SCHEMBL14759418 0.83 GBA1 (0.75) GBA1FUCA1S1PR1S1PR5
SCHEMBL1190716 0.83 GBA1 (0.75) GBA1FUCA1S1PR1S1PR5
SCHEMBL742926 0.83 GBA1 (0.75) GBA1FUCA1S1PR1S1PR5
SCHEMBL9383279 0.77 GBA1 (0.58) GBA1FUCA1ALDH1A1S1PR1S1PR5
SCHEMBL3369882 0.76 GBA1 (0.51) GBA1ALDH1A1S1PR1S1PR5

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 1341/4885HTR2C 1175/4885FUCA1 2098/4885

“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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