SCHEMBL4833563

SCHEMBL4833563

Cc1cc(Nc2cc(OCCN3CCCCC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
KDR P35968 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
LTA4H P09960 2/20 0.45
LMNA P02545 1/20 0.44
INSR P06213 1/20 0.44
AXL P30530 1/20 0.44
BRAF P15056 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ACP1 P24666 2/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL4828011 0.95 HRH3 (0.53) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4829919 0.95 HRH3 (0.53) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4828147 0.95 HRH3 (0.50) HRH3KDRTSHRHTTADRA2A
SCHEMBL4829986 0.93 ADRA2A (0.52) KDRTSHRHTTADRA2AADRA2B
SCHEMBL4832197 0.92 HTR1D (0.51) KDRTSHRHTTADRA2AADRA2B
SCHEMBL4830118 0.91 BRAF (0.48) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4633738 0.90 HTR1D (0.53) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4834274 0.90 ADRA2A (0.55) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4832185 0.90 TSHR (0.41) HRH3KDRTSHRHTTADRA2A
SCHEMBL4832315 0.90 HTT (0.43) KDRTSHRHTTADRA2AADRA2B

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 HRH3 79/4885KDR 1151/4885TSHR 1103/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HRH3 79/4885KDR 1151/4885TSHR 1103/4885

“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.