SCHEMBL3400913

SCHEMBL3400913

COCn1ccnc1C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ARG1 P05089 1/20 0.33
FDPS P14324 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL11536106 0.89 SMN1; SMN2 (0.41) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4670943 0.84 SMN1; SMN2 (0.37) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL510666 0.83 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL27788621 0.83 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL5232129 0.81 SMN1; SMN2 (0.34) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1078937 0.80 SMN1; SMN2 (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4675474 0.80 ALDH1A1 (0.40) CYP1A2HPGD
SCHEMBL3397905 0.80 RAB9A (0.33) CYP1A2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL20744563 0.79 SMN1; SMN2 (0.37) CYP2C19SMN1; SMN2NPC1RAB9AFDPS
SCHEMBL2276496 0.79 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AFDPS

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 CYP1A2 156/4885CYP3A4 236/4885CYP2C9 64/4885

“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.