SCHEMBL13698461

SCHEMBL13698461

CCOC(=O)N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
LMNA P02545 2/20 0.66
MAPK1 P28482 2/20 0.66
USP2 O75604 1/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.65
RAB9A P51151 1/20 0.61
GAA P10253 1/20 0.56
ALOX12 P18054 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTR7 P34969 3/20 0.55
POLB P06746 3/20 0.54

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
SCHEMBL13698469 0.84 SMN1; SMN2 (0.60) ALDH1A1LMNAMAPK1HTTSMN1; SMN2
SCHEMBL6506137 0.79 NOTUM (0.61) ALDH1A1LMNAMAPK1USP2HTT
SCHEMBL6258508 0.77 POLB (0.70) ALDH1A1LMNAMAPK1USP2HTT
SCHEMBL5231536 0.77 LMNA (0.70) ALDH1A1LMNAMAPK1USP2HTT
SCHEMBL10762915 0.77 ALDH1A1 (0.64) ALDH1A1LMNAMAPK1HTTRAB9A
SCHEMBL26706279 0.76 ALDH1A1 (0.76) ALDH1A1LMNAHTTSMN1; SMN2ALOX12
SCHEMBL26706278 0.76 ALDH1A1 (0.76) ALDH1A1LMNAHTTSMN1; SMN2ALOX12
SCHEMBL5234744 0.76 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1USP2HTT
SCHEMBL10761054 0.76 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1USP2HTT
SCHEMBL3762865 0.76 POLB (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AHTR7

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 ALDH1A1 2270/4885LMNA 4305/4885MAPK1 2519/4885

“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.