SCHEMBL1491177

SCHEMBL1491177

CC(C)(C)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GFER P55789 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
DRD4 P21917 1/20 0.45
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL11120307 0.84 GAA (0.70) GAAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4019882 0.84 GAA (0.70) GAAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL19457241 0.83 CYP2B6 (0.54) GAAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL12752842 0.79 ADRB1 (0.53) HTTRAB9AALDH1A1DRD4LMNA
SCHEMBL8136086 0.79 ADRB1 (0.56) HTTNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL1308333 0.79 ADRA2C (0.60) GAAHTTNPC1RAB9ASMN1; SMN2
SCHEMBL12631522 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL11093160 0.76 GRIN2D (0.43) SMN1; SMN2KMT2AALDH1A1MAPTLMNA
SCHEMBL16133045 0.76 MYC (0.49) NPC1ALDH1A1
SCHEMBL18997520 0.76 GAA (0.60) GAAHTTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US disclosed
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US disclosed
US-8207163-B2 Compositions, synthesis, and methods of using piperazine based antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2299814-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2011-03-30 EP disclosed
EP-2162135-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2010-03-17 EP disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 WO disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2008144764-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING QUINOLINONE BASED ATYPICAL ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2008-11-27 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-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D GAA 3519/4885HTT 1182/4885NPC1 3178/4885
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF ENPP1, ENPP2, ENPP3 GAA 483/4885HTT 1539/4885NPC1 394/4885

“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.