SCHEMBL4824862

SCHEMBL4824862

Cc1cc(Nc2cc(OCCCN3CCC(c4ccccc4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
MCHR1 Q99705 2/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
EGFR P00533 1/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 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
SCHEMBL4832206 0.96 HTR1A (0.45) HRH3TSHRHTTMCHR1ADRA2A
SCHEMBL4829973 0.93 GRM2 (0.45) HRH3TSHRHTTMCHR1ADRA2A
SCHEMBL5128925 0.92 HRH3 (0.49) HRH3MAOBTSHRHTTADRA2A
SCHEMBL6333164 0.92 DRD2 (0.47) HRH3TSHRHTTMCHR1ADRA2A
SCHEMBL4832007 0.92 CCR2 (0.42) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4834160 0.92 HTR1A (0.42) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4829917 0.91 HTR1A (0.45) HRH3TSHRHTTMCHR1ADRA2A
SCHEMBL4832330 0.90 HTR1A (0.43) HRH3TSHRHTTMCHR1ADRA2A
SCHEMBL4825834 0.90 LMNA (0.49) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4832541 0.90 TSHR (0.51) HRH3TSHRHTTMCHR1LMNA

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 79/4885MAOA 2381/4885MAOB 1717/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HRH3 79/4885MAOA 2381/4885MAOB 1717/4885

“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.