SCHEMBL4474676

SCHEMBL4474676

CCCCOC(=O)N1CCC(N2CCC(C#N)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.51
CHRM2 P08172 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL4441606 0.92 LMNA (0.56) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL7018944 0.83 CHRM1 (0.59) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL21944817 0.83 CHRM1 (0.59) CHRM1CHRM2SMN1; SMN2TP53TDP1
SCHEMBL14964741 0.83 CHRM1 (0.59) CHRM1CHRM2SMN1; SMN2TP53TDP1
SCHEMBL3310701 0.81 SMN1; SMN2 (0.51) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL2324367 0.80 LMNA (0.56) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL30121711 0.80 CHRM2 (0.50) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL30473383 0.79 LMNA (0.55) CHRM1CHRM2SMN1; SMN2LMNAPOLB
SCHEMBL29609549 0.79 LMNA (0.54) SMN1; SMN2LMNAPOLBTDP1GAA
SCHEMBL5035936 0.78 GAA (0.59) CHRM1SMN1; SMN2POLBTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582625-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-29 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-20070072847-A1 -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents GPR119, HTR1D, TRPV1 CHRM1 66/4885CHRM2 343/4885SMN1; SMN2 3300/4885

“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.