SCHEMBL4828030

SCHEMBL4828030

COc1cccc(CNCCCOc2cccc(Nc3cc(C)nc4ccccc34)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
HTT P42858 1/20 0.69
LMNA P02545 2/20 0.53
ABCB1 P08183 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.53
SCN8A Q9UQD0 1/20 0.52
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
CHRM2 P08172 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
BCHE P06276 1/20 0.47
POLB P06746 1/20 0.47
ACP1 P24666 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL4832314 0.97 TSHR (0.70) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4633382 0.93 TSHR (0.62) TSHRHTTLMNAABCB1ABCG2
SCHEMBL14306234 0.90 TSHR (0.57) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4633373 0.90 TSHR (0.64) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4832182 0.90 TSHR (0.58) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4834511 0.89 TSHR (0.56) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4828164 0.89 TSHR (0.56) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4829830 0.88 TSHR (0.54) TSHRHTTLMNASCN8AGAA
SCHEMBL4834583 0.87 TSHR (0.61) TSHRHTTLMNAABCB1ABCG2
SCHEMBL4832413 0.86 TSHR (0.66) TSHRHTTLMNAABCB1ABCG2

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

“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.