SCHEMBL4830125

SCHEMBL4830125

O=C(OCC(Cl)(Cl)Cl)N1C2CCCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.47
CHRM2 P08172 2/20 0.47
CHRM3 P20309 2/20 0.47
CHRM4 P08173 1/20 0.47
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL7414030 0.85 CHRM2 (0.45) CHRM1CHRM2CHRM3CHRM4ALDH1A1
SCHEMBL2190026 0.83 CHRM1 (0.54) CHRM1CHRM2CHRM3CHRM4ALDH1A1
SCHEMBL2190030 0.83 CHRM1 (0.54) CHRM1CHRM2CHRM3CHRM4ALDH1A1
SCHEMBL857819 0.81 CHRM1 (0.38) CHRM1CHRM2CHRM3CHRM4
SCHEMBL8122326 0.81 CHRM2 (0.38) CHRM1CHRM2CHRM3CHRM4ALDH1A1
SCHEMBL12507091 0.80 CHRM1 (0.37) CHRM1CHRM2CHRM3CHRM4POLB
SCHEMBL12355754 0.79 CHRM1 (0.40) CHRM1CHRM2CHRM3CHRM4POLB
SCHEMBL699340 0.79 CHRM2 (0.38) CHRM1CHRM2CHRM3CHRM4ALDH1A1
SCHEMBL17354962 0.77 CHRM1 (0.51) CHRM1CHRM4ALDH1A1
SCHEMBL10063523 0.77 CHRM1 (0.51) CHRM1CHRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 CHRM1 1309/4885CHRM2 712/4885CHRM3 395/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 CHRM1 1309/4885CHRM2 712/4885CHRM3 395/4885

“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.