Sugi Predict

Sugi Predict / Compounds / SCHEMBL4072808

SCHEMBL4072808

SCHEMBL4072808

[CH2]c1c(OC)ccnc1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RUNX1 Q01196 1/20 0.37
▸ IGF1R P08069 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5208249 0.87 MPL (0.33) SMN1; SMN2
SCHEMBL4074887 0.81 ALDH1A1 (0.39) MAPTKMT2AALDH1A1MEN1NPC1
SCHEMBL4072811 0.81 ALDH1A1 (0.38) RUNX1IGF1RMAPTKMT2AALDH1A1
SCHEMBL4077988 0.77 HPGD (0.47) KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL4079858 0.76 TRPV4 (0.37) MAPTKMT2AALDH1A1TRPA1CYP1A2
SCHEMBL4082143 0.74 RUNX1 (0.35) RUNX1IGF1RALDH1A1TRPA1CYP1A2
SCHEMBL5208254 0.73 DRD1 (0.37) RUNX1SMN1; SMN2
SCHEMBL4074314 0.72 CYP1A2 (0.34) ALDH1A1TRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL21669646 0.70 HPGD (0.37) RUNX1SMN1; SMN2
SCHEMBL4080569 0.70 MAOA (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572918-B2 Prepared in high yield and high purity without the need for isolation of intermediates and chromatographic purification; useful as muscarinic receptor antagonists; 4-{N-[7-(3-(S)-1-carbamoyl-1,1-diphenylmethyl)-pyrrolidin-1-yl)-hept-1-yl]-N-(isopropyl)amino}-1-(4-methoxypyrid-3-ylmethyl)-piperidine THERAVANCE, INC. (US) 2009-08-11 — — US disclosed
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. 2008-04-17 — — US disclosed
US-7285564-B2 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. (US) 2007-10-23 — — US disclosed
EP-1556372-B1 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2007-05-30 — — EP disclosed
US-20060094878-A1 Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds THERAVANCE, INC. 2006-05-04 — — 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-20060094878-A1 Process for preparing substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM4, CHRM3, CHRM1 RUNX1 4525/4885IGF1R 2581/4885MAPT 2813/4885
US-20080091034-A1 Substituted 4-amino-1-(pyridylmethyl)piperidine and related compounds CHRM5, CHRM1, CHRM3 RUNX1 3587/4885IGF1R 2399/4885MAPT 2883/4885

“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.