SCHEMBL3402202

SCHEMBL3402202

CCN(CC)C1CCN(C(=O)c2sc(-c3cc(C(F)(F)F)ccc3Cl)nc2C)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
RORC P51449 7/20 0.42
CES2 O00748 1/20 0.40
CHRM4 P08173 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3404754 0.89 HTR2C (0.42) HTR2CRORCCES2CHRM4KMT2A
SCHEMBL3402247 0.89 HTR2C (0.47) HTR2CCES2POLBKMT2AALDH1A1
SCHEMBL3399813 0.85 HTR2C (0.56) HTR2CCES2POLBALDH1A1SMN1; SMN2
SCHEMBL3397121 0.84 HTR2C (0.46) HTR2CCES2CYP3A4
SCHEMBL13072002 0.84 HTR2C (0.46) HTR2CCES2CYP3A4
SCHEMBL3401208 0.84 HTR2C (0.44) HTR2CCES2POLB
SCHEMBL3403708 0.83 KDM4E (0.48) HTR2CCES2POLBALDH1A1
SCHEMBL3399714 0.83 HTR2C (0.43) HTR2CRORCCES2ALDH1A1SMN1; SMN2
SCHEMBL3401147 0.82 HTR2C (0.55) HTR2CCES2POLB
SCHEMBL3403467 0.81 HTR2C (0.54) HTR2CCES2POLBALDH1A1SMN1; SMN2

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 416/4885RORC 735/4885CES2 1068/4885

“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.