SCHEMBL1993569

SCHEMBL1993569

CN1CCC2CN(C(=O)OCc3ccccc3)CCC21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CYP2C19 P33261 1/20 0.55
CHRM1 P11229 2/20 0.51
HTT P42858 1/20 0.50
GRIN2B Q13224 4/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ENPP2 Q13822 1/20 0.48
PDE4B Q07343 1/20 0.48
USP30 Q70CQ3 1/20 0.47
CYP3A4 P08684 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
XIAP P98170 1/20 0.47
BIRC2 Q13490 1/20 0.47

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
SCHEMBL29869631 1.00 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL29869756 0.91 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29869765 0.91 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25465618 0.86 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL8563347 0.84 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL30834723 0.84 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ACYP2C19CHRM1
SCHEMBL19390245 0.82 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL7341385 0.82 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1991997 0.82 JAK2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31288285 0.82 JAK2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO SMN1; SMN2 2548/4885NPC1 1587/4885RAB9A 1126/4885

“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.