SCHEMBL3401129

SCHEMBL3401129

CCN(CC)C1CCN(C(=O)c2sc(-c3ccc(F)cc3F)nc2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.50
HTR2C P28335 7/20 0.47
CBX7 O95931 1/20 0.42
CDYL2 Q8N8U2 1/20 0.42
CDYL Q9Y232 1/20 0.42
CDY1; CDY1B Q9Y6F8 1/20 0.42
CES2 O00748 1/20 0.41
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.37
NPC1 O15118 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
SCHEMBL3401299 0.95 ACKR3 (0.47) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL3405458 0.92 HTR2C (0.47) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL3400092 0.90 HTR2C (0.47) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL13310351 0.90 HTR2C (0.46) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL3405850 0.89 HTR2C (0.44) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL3399938 0.87 HTR2C (0.44) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL3405875 0.87 HTR2C (0.44) ACKR3HTR2CCBX7CDYL2CDYL
SCHEMBL3400020 0.84 HTR2C (0.41) ACKR3HTR2CMEN1KMT2ANPC1
SCHEMBL3404351 0.83 HTR2C (0.49) ACKR3HTR2CCES2CNR1LMNA
SCHEMBL3400826 0.83 HTR2C (0.48) ACKR3HTR2CCES2CNR1THRA

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 ACKR3 245/4885HTR2C 416/4885CBX7 2264/4885

“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.