Sugi Predict

Sugi Predict / Compounds / SCHEMBL5040644

SCHEMBL5040644

SCHEMBL5040644

CCOC1CCN(c2cc(C)nc3cc(OCc4cccnc4F)ccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.43
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TTR P02766 1/20 0.36
▸ LPL P06858 2/20 0.35
▸ LIPC P11150 2/20 0.35
▸ LIPG Q9Y5X9 2/20 0.35
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ HTR1A P08908 4/20 0.35
▸ HTR1D P28221 4/20 0.35
▸ HTR1B P28222 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ NMT1 P30419 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL5040641 1.00 CHRM4 (0.43) CHRM4KMT2AMEN1ALDH1A1TTR
Hydrochloric Acid SCHEMBL5040343 0.99 CHRM4 (0.43) CHRM4KMT2AMEN1ALDH1A1TTR
Hydrochloric Acid SCHEMBL5040339 0.99 CHRM4 (0.43) CHRM4KMT2AMEN1ALDH1A1TTR
SCHEMBL5033364 0.90 CHRM4 (0.40) CHRM4KMT2AMEN1ALDH1A1TTR
SCHEMBL5033362 0.90 CHRM4 (0.40) CHRM4KMT2AMEN1ALDH1A1TTR
Hydrochloric Acid SCHEMBL5040520 0.89 CHRM4 (0.39) CHRM4KMT2AMEN1ALDH1A1TTR
Hydrochloric Acid SCHEMBL5040521 0.89 CHRM4 (0.39) CHRM4KMT2AMEN1ALDH1A1TTR
SCHEMBL5037443 0.84 MAOB (0.41) CHRM4KMT2AMEN1ALDH1A1TTR
SCHEMBL5037440 0.84 MAOB (0.41) CHRM4KMT2AMEN1ALDH1A1TTR
SCHEMBL5040604 0.84 CHRM4 (0.42) CHRM4KMT2AMEN1ALDH1A1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 — — US claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — US claimed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 — — EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 — — US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 — — US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 — — 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885KMT2A 2649/4885MEN1 1847/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885KMT2A 2649/4885MEN1 1847/4885

“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.