SCHEMBL3405850

SCHEMBL3405850

CCN(CC)C1CCN(C(=O)c2sc(-c3ccc(F)cc3C)nc2C)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
ACKR3 P25106 1/20 0.42
POLR1A O95602 1/20 0.40
CBX7 O95931 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
CES2 O00748 1/20 0.38
PARP1 P09874 1/20 0.38
KDM1A O60341 1/20 0.38
HTR7 P34969 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL3405458 0.94 HTR2C (0.47) HTR2CACKR3CBX7CDYL2CDYL
SCHEMBL3401299 0.94 ACKR3 (0.47) HTR2CACKR3POLR1ACBX7CDYL2
SCHEMBL3405875 0.93 HTR2C (0.44) HTR2CACKR3POLR1ACBX7CDYL2
SCHEMBL3401129 0.89 ACKR3 (0.50) HTR2CACKR3CBX7CDYL2CDYL
SCHEMBL3400020 0.88 HTR2C (0.41) HTR2CACKR3POLR1A
SCHEMBL3401811 0.88 HTR2C (0.45) HTR2CPOLR1ACES2KDM1AJAK1
SCHEMBL3400092 0.87 HTR2C (0.47) HTR2CACKR3CBX7CDYL2CDYL
SCHEMBL3399761 0.87 HTR2C (0.53) HTR2CPOLR1ACES2JAK1
SCHEMBL3399783 0.85 HTR2C (0.45) HTR2CPOLR1ACES2KDM1AJAK1
SCHEMBL3405532 0.84 HTR2C (0.56) HTR2CPOLR1ACES2JAK1

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 416/4885ACKR3 245/4885POLR1A 4685/4885

“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.