SCHEMBL3400596

SCHEMBL3400596

CCOC(=O)C(I)C(=O)c1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 5/20 0.43
NAPRT Q6XQN6 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL11529446 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11529414 0.83 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11527512 0.82 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11529880 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11529442 0.81 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11529156 0.79 RAB9A (0.45) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL11529222 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL3401108 0.78 P2RX7 (0.44) SMN1; SMN2KMT2APOLBKDM4EMAPT
SCHEMBL11526544 0.77 KDM4E (0.46) NPC1RAB9ASMN1; SMN2KMT2APOLB
SCHEMBL2558377 0.77 POLB (0.61) NPC1RAB9ASMN1; SMN2KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-2158199-B1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
WO-2008152418-A1 PIPERIDINE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2008-12-18 WO disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 ASTRAZENECA AB (SE) 2008-12-18 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-20080312255-A1 PIPERDINE COMPOUNDS AND USES THEREOF-911 NISCH, PIR, QDPR NPC1 789/4885RAB9A 399/4885SMN1; SMN2 2282/4885

“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.