SCHEMBL4834095

SCHEMBL4834095

Cc1cc(Nc2cc(OCCN3CCC(C(=O)O)(c4cccc(C(F)(F)F)c4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.43
MAPK14 Q16539 1/20 0.43
DRD2 P14416 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRM1 P35372 3/20 0.42
OPRL1 P41146 2/20 0.42
RXFP1 Q9HBX9 3/20 0.41
KDR P35968 1/20 0.40
EPHX2 P34913 1/20 0.40
UTS2R Q9UKP6 2/20 0.40
ADRA2A P08913 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL4828224 0.96 KDR (0.42) BRAFMAPK14DRD2HTTKDM4E
SCHEMBL4832414 0.94 OPRM1 (0.42) BRAFMAPK14DRD2HTTKDM4E
SCHEMBL4829903 0.93 DRD2 (0.42) BRAFMAPK14DRD2HTTKDM4E
SCHEMBL4834389 0.92 KDR (0.41) BRAFMAPK14DRD2HTTKDM4E
SCHEMBL4832418 0.88 OPRM1 (0.49) LMNAOPRM1SLC6A4
SCHEMBL4828291 0.87 TSHR (0.43) BRAFDRD2HTTLMNAKDR
SCHEMBL4828129 0.87 DRD2 (0.41) BRAFDRD2HTTKDM4ELMNA
SCHEMBL4824981 0.86 UTS2R (0.43) DRD2HTTKDM4ELMNAOPRM1
SCHEMBL4828473 0.86 KDR (0.40) BRAFDRD2HTTKDM4EALDH1A1
SCHEMBL4832168 0.86 TSHR (0.40) BRAFDRD2HTTKDM4ELMNA

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 BRAF 4461/4885MAPK14 3606/4885DRD2 1127/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 BRAF 4461/4885MAPK14 3606/4885DRD2 1127/4885

“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.