SCHEMBL4834274

SCHEMBL4834274

Cc1cc(Nc2cc(OCCN3CCN(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD2 P14416 3/20 0.45
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
HTR1A P08908 2/20 0.44
HTR7 P34969 1/20 0.44
MAPT P10636 1/20 0.42
ACVR1 Q04771 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL4832661 0.95 ADRA2A (0.52) ADRA2AADRA2BADRA2CDRD2DNMT1
SCHEMBL4832388 0.93 ADRA2A (0.47) ADRA2AADRA2BADRA2CDRD2DNMT1
SCHEMBL4829986 0.92 ADRA2A (0.52) ADRA2AADRA2BADRA2CDNMT1RAD52
SCHEMBL4830118 0.90 BRAF (0.48) ADRA2AADRA2BADRA2CLMNATSHR
SCHEMBL4833563 0.90 HRH3 (0.47) ADRA2AADRA2BADRA2CLMNATSHR
SCHEMBL4826475 0.90 DRD2 (0.51) ADRA2AADRA2BADRA2CDRD2LMNA
SCHEMBL4633738 0.90 HTR1D (0.53) ADRA2AADRA2BADRA2CLMNATSHR
SCHEMBL4832315 0.89 HTT (0.43) ADRA2AADRA2BADRA2CLMNATSHR
SCHEMBL4824920 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CDRD2DNMT1
SCHEMBL4833899 0.87 DRD2 (0.55) ADRA2AADRA2BADRA2CDRD2LMNA

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 ADRA2A 200/4885ADRA2B 227/4885ADRA2C 163/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ADRA2A 200/4885ADRA2B 227/4885ADRA2C 163/4885

“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.