SCHEMBL1717026

SCHEMBL1717026

CC1[C@@H](C(=O)O)[C@H](C)CN1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
BRD4 O60885 2/20 0.46
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
GRM6 O15303 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17389297 0.84 MAPT (0.51) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL17631636 0.84 MAPT (0.51) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL19281632 0.84 MAPT (0.51) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL22038592 0.81 MAPT (0.62) MAPTDRD2DRD3
SCHEMBL26186740 0.81 MAPT (0.58) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL9543098 0.81 MAPT (0.50) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL20135465 0.81 MAPT (0.58) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL26186803 0.81 MAPT (0.58) MAPTBRD4S1PR1S1PR5PDK1
SCHEMBL17986812 0.81 MAPT (0.58) MAPTBRD4S1PR1S1PR5PDK1
Hydrochloric Acid SCHEMBL20135692 0.79 MAPT (0.56) MAPTBRD4S1PR1S1PR5PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US disclosed
EP-2152712-B1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER (US) 2012-01-11 EP disclosed
US-7964607-B2 Pyrazolo[3,4-d]pyrimidine compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 EP disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 WO 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-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A MAPT 372/4885BRD4 1184/4885S1PR1 3298/4885
US-20150191476-A1 Imidazotriazinone Compounds PDE9A, PDE12, PDE4A MAPT 3164/4885BRD4 914/4885S1PR1 1663/4885

“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.