SCHEMBL3399443

SCHEMBL3399443

Cc1cccc(-c2nc(C)c(C(=O)N3CCC(N(C)C)C3)s2)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.54
CNR1 P21554 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
PARP1 P09874 1/20 0.41
PDK2 Q15119 1/20 0.40
ATR Q13535 1/20 0.40
BTK Q06187 1/20 0.38

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
SCHEMBL3402532 0.89 HTR2C (0.52) HTR2CCNR1
SCHEMBL3400023 0.87 HTR2C (0.73) HTR2CCNR1PARP1
SCHEMBL3400469 0.85 HTR2C (0.56) HTR2CCNR1
SCHEMBL3405516 0.85 HTR2C (0.53) HTR2CCNR1HRH3PDK2
SCHEMBL3399878 0.85 HTR2C (0.58) HTR2CCNR1HRH3PARP1PDK2
SCHEMBL3402583 0.85 HTR2C (0.53) HTR2CCNR1HRH3PARP1PDK2
SCHEMBL3403464 0.84 HTR2C (0.52) HTR2CCNR1HRH3PARP1PDK2
SCHEMBL3399761 0.81 HTR2C (0.53) HTR2CCNR1
SCHEMBL3405381 0.80 HTR2C (0.60) HTR2CHRH3
SCHEMBL3400898 0.80 HTR2C (0.60) HTR2CHRH3

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 416/4885CNR1 35/4885HRH3 1/4885

“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.