SCHEMBL2177295

SCHEMBL2177295

NC(=O)C[C@H]1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS1 P23219 8/20 0.40
PTGS2 P35354 8/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL17294310 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL17294316 0.94 CA1 (0.47) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL1918364 0.81 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL1397437 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL8433568 0.78 KDM4E (0.49) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL13545147 0.76 PTGS1 (0.44) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL2764882 0.75 KDM4E (0.50) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL14809035 0.75 KDM4E (0.58) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL2565281 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL13543202 0.75 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNACA1

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-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP NPC1 1381/4885RAB9A 1585/4885SMN1; SMN2 1679/4885

“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.