SCHEMBL5040604

SCHEMBL5040604

CCO[C@H]1CCN(c2cc(C)nc3cc(OCc4cccnc4)ccc23)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.42
MAOA P21397 1/20 0.42
DYRK1A Q13627 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PRKDC P78527 2/20 0.41
VNN1 O95497 1/20 0.41
FGFR1 P11362 1/20 0.41
ACACB O00763 1/20 0.40
CSF1R P07333 1/20 0.39
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR6 P50406 1/20 0.36

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
SCHEMBL5040606 1.00 CHRM4 (0.42) CHRM4MAOADYRK1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL5035853 0.99 CHRM4 (0.41) CHRM4MAOADYRK1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL5035852 0.99 CHRM4 (0.41) CHRM4MAOADYRK1ACHRM2CHRM1
Hydrochloric Acid SCHEMBL5035821 0.89 CHRM4 (0.42) CHRM4FGFR1MEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5035823 0.89 CHRM4 (0.42) CHRM4FGFR1MEN1ALDH1A1KMT2A
SCHEMBL5033347 0.86 KMT2A (0.45) CHRM4PRKDCCSF1RPDE3BPDE3A
SCHEMBL5033345 0.86 KMT2A (0.45) CHRM4PRKDCCSF1RPDE3BPDE3A
Hydrochloric Acid SCHEMBL5033336 0.85 KMT2A (0.45) CHRM4PRKDCPDE3BPDE3AMEN1
Hydrochloric Acid SCHEMBL5033333 0.85 KMT2A (0.45) CHRM4PRKDCPDE3BPDE3AMEN1
SCHEMBL5139587 0.85 CHRM4 (0.39) CHRM4ACACBPDE3BPDE3AMEN1

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
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 2051/4885MAOA 1633/4885DYRK1A 244/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R CHRM4 2051/4885MAOA 1633/4885DYRK1A 244/4885

“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.