SCHEMBL485099

SCHEMBL485099

c1cncc(C2CCC3(CCNC3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.53
CHRNB2 P17787 6/20 0.49
CHRNA4 P43681 5/20 0.49
CHRNA7 P36544 3/20 0.45
CYP2A6 P11509 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM1A O60341 1/20 0.41
CHRNA3 P32297 1/20 0.39
CYP11B1 P15538 1/20 0.39
ALOX15 P16050 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
SCHEMBL3464833 0.92 CHRNB2 (0.46) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL3463798 0.84 CYP11B2 (0.50) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL3463550 0.83 CYP11B2 (0.48) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL484676 0.81 CYP2D6 (0.40) CYP2D6CYP2C19CYP2C9KDM1ACYP11B1
SCHEMBL30676152 0.77 CYP11B2 (0.67) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL533875 0.77 CYP11B2 (0.67) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL20345524 0.76 CYP11B2 (0.51) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
Hydrochloric Acid SCHEMBL4006926 0.76 CYP11B2 (0.65) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
Hydrochloric Acid SCHEMBL7507547 0.76 CYP11B2 (0.65) CYP11B2CHRNB2CHRNA4CHRNA7CYP2A6
SCHEMBL990213 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885CHRNB2 2614/4885CHRNA4 2104/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP11B2 2150/4885CHRNB2 2614/4885CHRNA4 2104/4885

“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.