SCHEMBL4825834

SCHEMBL4825834

COc1ccc(C2CCN(CCOc3cc(Nc4cc(C)nc5ccccc45)cc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
ACP1 P24666 6/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
IGF1R P08069 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
GRM2 Q14416 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
SCHEMBL4829973 0.94 GRM2 (0.45) LMNATSHRHTTACP1HRH3
SCHEMBL4832206 0.94 HTR1A (0.45) LMNATSHRHTTHRH3HTR1A
SCHEMBL4832007 0.94 CCR2 (0.42) LMNATSHRHTTHRH3HTR1A
SCHEMBL4834160 0.94 HTR1A (0.42) LMNATSHRHTTHRH3HTR1A
SCHEMBL4832541 0.93 TSHR (0.51) LMNATSHRHTTHRH3HTR1A
SCHEMBL4832330 0.92 HTR1A (0.43) LMNATSHRHTTHRH3HTR1A
SCHEMBL6333164 0.91 DRD2 (0.47) LMNATSHRHTTHRH3HTR1A
SCHEMBL4824862 0.90 HRH3 (0.47) LMNATSHRHTTHRH3HTR1A
SCHEMBL4829917 0.90 HTR1A (0.45) LMNATSHRHTTHRH3HTR1A
SCHEMBL4828166 0.89 HTR1A (0.44) TSHRHTTACP1HTR1AHTR1D

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 6 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-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 LMNA 3004/4885TSHR 1103/4885HTT 1829/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 LMNA 3004/4885TSHR 1103/4885HTT 1829/4885

“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.