SCHEMBL3405569

SCHEMBL3405569

CCCCN1CCCN(C(=O)c2sc(-c3cccc(C)c3)nc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
HTR2C P28335 7/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CES2 O00748 1/20 0.42
MAPT P10636 1/20 0.41
GRIN2B Q13224 1/20 0.40
PARP1 P09874 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
KMT2A Q03164 2/20 0.40
ICMT O60725 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3404063 0.91 TRPM8 (0.50) CNR1HTR2CTHRATHRBCES2
SCHEMBL3402239 0.91 CNR1 (0.49) CNR1HTR2CTHRATHRBCES2
SCHEMBL3405405 0.91 KMT2A (0.53) CNR1HTR2CTHRATHRBCES2
SCHEMBL3401176 0.90 CNR1 (0.60) CNR1HTR2CCES2MAPTPARP1
SCHEMBL3404030 0.90 CNR1 (0.44) CNR1HTR2CTHRATHRBCES2
SCHEMBL3405411 0.90 CNR1 (0.46) CNR1HTR2CTHRATHRBCES2
SCHEMBL3402322 0.90 CNR1 (0.46) CNR1HTR2CTHRATHRBMAPT
SCHEMBL3402670 0.89 CNR1 (0.46) CNR1HTR2CTHRATHRBCES2
SCHEMBL3404391 0.89 CNR1 (0.46) CNR1HTR2CTHRATHRBCES2
SCHEMBL3405461 0.89 CNR1 (0.46) CNR1HTR2CTHRATHRBCES2

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 CNR1 35/4885HTR2C 416/4885THRA 38/4885

“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.