SCHEMBL4828129

SCHEMBL4828129

COC(=O)C1(c2ccc(C(F)(F)F)cc2)CCN(CCOc2cc(Nc3cc(C)nc4ccccc34)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
KDR P35968 1/20 0.40
KCNA3 P22001 1/20 0.40
ADRA2A P08913 2/20 0.40
UTS2R Q9UKP6 2/20 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
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BRAF P15056 3/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL4829903 0.94 DRD2 (0.42) DRD2KDRADRA2AUTS2RSLC6A2
SCHEMBL4828473 0.94 KDR (0.40) DRD2KDRKCNA3ADRA2AUTS2R
SCHEMBL4832414 0.93 OPRM1 (0.42) DRD2KDRKCNA3ADRA2AUTS2R
SCHEMBL4832418 0.91 OPRM1 (0.49) KCNA3SLC6A4LMNAOPRM1OPRD1
SCHEMBL4828224 0.91 KDR (0.42) DRD2KDRADRA2AUTS2RSLC6A2
SCHEMBL4834389 0.88 KDR (0.41) DRD2KDRADRA2AUTS2RSLC6A2
SCHEMBL4633276 0.87 UTS2R (0.46) DRD2KDRADRA2AUTS2RSLC6A2
SCHEMBL4834095 0.87 BRAF (0.43) DRD2KDRADRA2AUTS2RSLC6A2
SCHEMBL4828291 0.85 TSHR (0.43) DRD2KDRADRA2AUTS2RSLC6A2
SCHEMBL4834259 0.85 DRD2 (0.45) DRD2KDRADRA2AUTS2RSLC6A2

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 DRD2 1127/4885KDR 1151/4885KCNA3 3367/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 DRD2 1127/4885KDR 1151/4885KCNA3 3367/4885

“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.