SCHEMBL3964050

SCHEMBL3964050

CC(=O)N[C]1C=CC=CN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MB P02144 1/20 0.38
CYP1A1 P04798 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2066484 0.70
SCHEMBL2067599 0.64 ALDH1A1 (0.33) SMN1; SMN2L3MBTL1HSD17B10HTTNAPRT
SCHEMBL2066721 0.62 RECQL (0.31) KDM4E
SCHEMBL3071609 0.61 LMNA (0.71) SMN1; SMN2L3MBTL1HSD17B10HTTNAPRT
SCHEMBL2066763 0.61 ESR1 (0.33)
SCHEMBL861674 0.61 SMN1; SMN2 (0.84) SMN1; SMN2L3MBTL1HSD17B10HTTNAPRT
SCHEMBL19686162 0.61
SCHEMBL863168 0.58 MEN1 (0.69) SMN1; SMN2L3MBTL1HSD17B10HTTKMT2A
SCHEMBL11362354 0.58 KDM4E (0.58) SMN1; SMN2L3MBTL1HSD17B10HTTKMT2A
SCHEMBL29789580 0.58 PYGM (0.38) SMN1; SMN2HSD17B10ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US disclosed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6605634-B2 Tumor necrosis factor alpha and interleukin-1 (IL-1) mediated diseases; pain, diabetes; cyclooxygenase inhibition AMGEN, INC. 2003-08-12 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 SMN1; SMN2 3211/4885L3MBTL1 1706/4885HSD17B10 2504/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 SMN1; SMN2 3375/4885L3MBTL1 2619/4885HSD17B10 1523/4885

“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.