SCHEMBL3404351

SCHEMBL3404351

CCN(CC)C1CCN(C(=O)c2sc(-c3c(F)cccc3F)nc2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.49
CNR1 P21554 1/20 0.44
ACKR3 P25106 1/20 0.41
CES2 O00748 1/20 0.40
SIGLEC9 Q9Y336 1/20 0.39
OXTR P30559 1/20 0.39
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
THRA P10827 1/20 0.39
PIM1 P11309 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
PARP1 P09874 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL3399675 0.90 HTR2C (0.51) HTR2CCNR1CES2SIGLEC9OXTR
SCHEMBL5553143 0.89 ACKR3 (0.40) HTR2CACKR3THRBTHRAPIM1
SCHEMBL3403435 0.83 HTR2C (0.44) HTR2CCNR1ACKR3CES2SIGLEC9
SCHEMBL3401129 0.83 ACKR3 (0.50) HTR2CCNR1ACKR3CES2THRB
SCHEMBL3400469 0.83 HTR2C (0.56) HTR2CCNR1CES2SIGLEC9OXTR
SCHEMBL3405718 0.82 HTR2C (0.58) HTR2CCNR1CES2SIGLEC9OXTR
SCHEMBL3404788 0.82 HTR2C (0.39) HTR2CCNR1ACKR3THRBTHRA
SCHEMBL3401147 0.82 HTR2C (0.55) HTR2CCNR1CES2OXTRPOLB
SCHEMBL3402631 0.82 HTR2C (0.74) HTR2CCNR1CES2
SCHEMBL3398163 0.82 HTR2C (0.57) HTR2CCNR1CES2SIGLEC9OXTR

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 35/4885ACKR3 245/4885

“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.