SCHEMBL5128965

SCHEMBL5128965

Cc1cc(Nc2cccc(OCCNC(C)C(C)C)c2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
HTT P42858 1/20 0.62
LMNA P02545 3/20 0.49
NPC1 O15118 2/20 0.48
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
NCF1 P14598 1/20 0.46
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
GUSB P08236 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 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
SCHEMBL6330549 0.87 TSHR (0.59) TSHRHTTLMNANPC1ABCB1
SCHEMBL4832602 0.86 TSHR (0.69) TSHRHTTLMNANPC1ABCB1
SCHEMBL4825146 0.85 TSHR (0.61) TSHRHTTLMNANPC1ABCB1
SCHEMBL4832413 0.84 TSHR (0.66) TSHRHTTLMNANPC1ABCB1
SCHEMBL4832331 0.84 TSHR (0.60) TSHRHTTLMNANPC1ABCB1
SCHEMBL4830038 0.83 HTT (0.65) TSHRHTTLMNANPC1ABCB1
SCHEMBL14279315 0.83 TSHR (0.70) TSHRHTTLMNANPC1ABCB1
SCHEMBL4825623 0.83 TSHR (0.70) TSHRHTTLMNANPC1ABCB1
SCHEMBL4633373 0.82 TSHR (0.64) TSHRHTTLMNANPC1ABCB1
SCHEMBL4631981 0.82 TSHR (0.62) TSHRHTTLMNANPC1ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.