SCHEMBL3306146

SCHEMBL3306146

CCCCOC(=O)N1CCC(n2ccnc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
F10 P00742 1/20 0.43
NOS2 P35228 4/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NOS1 P29475 3/20 0.41
NOS3 P29474 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3306747 0.81 LMNA (0.45) LMNAPOLBSMN1; SMN2CHRM2CHRM1
SCHEMBL30277880 0.75 OPRD1 (0.38) LMNAPOLBSMN1; SMN2OPRD1OPRK1
SCHEMBL8685880 0.74 DRD2 (0.56) LMNAPOLBSMN1; SMN2OPRD1OPRK1
SCHEMBL30376515 0.74 SMN1; SMN2 (0.42) LMNAPOLBSMN1; SMN2CHRM2CHRM1
SCHEMBL29742104 0.73 SMN1; SMN2 (0.44) LMNAPOLBSMN1; SMN2OPRD1OPRK1
SCHEMBL7449135 0.73 POLB (0.63) LMNAPOLBSMN1; SMN2NOS2CHRM2
SCHEMBL31386146 0.73 CHRM2 (0.40) LMNAPOLBSMN1; SMN2CHRM2CHRM1
SCHEMBL31386252 0.73 SMN1; SMN2 (0.40) LMNAPOLBSMN1; SMN2CHRM2CHRM1
SCHEMBL30205961 0.72 LMNA (0.43) LMNAPOLBSMN1; SMN2NOS2CHRM2
SCHEMBL7339506 0.72 LMNA (0.61) LMNAPOLBSMN1; SMN2NOS2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US disclosed
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-04-13 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 (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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 890/4885POLB 2618/4885SMN1; SMN2 4092/4885
US-20060079504-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA LMNA 890/4885POLB 2618/4885SMN1; SMN2 4092/4885

“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.