SCHEMBL13698490

SCHEMBL13698490

CCOC(=O)N1CCC(N2CCN(c3cc(Cl)ccc3OC)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
GAA P10253 1/20 0.62
ALOX12 P18054 1/20 0.62
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 1/20 0.52
HTT P42858 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDE P14735 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
TSHR P16473 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
SCHEMBL13698500 0.85 FFAR4 (0.51) SMN1; SMN2GAAALOX12MEN1KMT2A
SCHEMBL12897632 0.83 CHRM2 (0.56) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL12896489 0.81 ALDH1A1 (0.49) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL13698469 0.80 SMN1; SMN2 (0.60) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL13698538 0.80 SMN1; SMN2 (0.66) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL12896560 0.80 ALDH1A1 (0.48) SMN1; SMN2GAAALOX12KDM4EALDH1A1
SCHEMBL13698506 0.79 HTR3E (0.58) ALDH1A1FFAR4
SCHEMBL13698509 0.79 HTR3E (0.58) ALDH1A1FFAR4
SCHEMBL3762896 0.78 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3769777 0.78 KDM4E (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 SMN1; SMN2 4374/4885GAA 3977/4885ALOX12 2493/4885

“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.