SCHEMBL3399875

SCHEMBL3399875

COc1ccc(C)cc1-c1nc(C)c(C(=O)N2CCC(N3CCCCCC3)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL3 Q96JM7 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
MBTD1 Q05BQ5 3/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CES2 O00748 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL3405416 1.00 HTR2C (0.48) HTR2CNPC1RAB9AL3MBTL3L3MBTL1
SCHEMBL3401211 0.93 MEN1 (0.49) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL3405147 0.93 MEN1 (0.49) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL3405361 0.91 RAB9A (0.53) HTR2CNPC1RAB9ALMNA
SCHEMBL3405106 0.91 HRH3 (0.48) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL3396702 0.91 HTR2C (0.47) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL3400956 0.91 HTR2C (0.47) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL3401600 0.91 HRH3 (0.48) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL3404060 0.89 HTR2C (0.46) HTR2CL3MBTL3L3MBTL1LMNAMEN1
SCHEMBL13072186 0.89 HTR2C (0.46) HTR2CL3MBTL3L3MBTL1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO 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 (1 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885NPC1 2005/4885RAB9A 2102/4885

“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.