SCHEMBL3762693

SCHEMBL3762693

C[C@H](CC(N)=O)N1CCC(NCc2ccsc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
AVPR1A P37288 1/20 0.36
AVPR1B P47901 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCR5 P51681 8/20 0.36
KCNH2 Q12809 4/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL3758106 1.00 MCHR1 (0.40) MCHR1SIGMAR1HRH3AVPR1AAVPR1B
SCHEMBL3758110 0.82 MCHR1 (0.42) MCHR1HRH3AVPR1AAVPR1BCCR5
SCHEMBL3762699 0.82 MCHR1 (0.42) MCHR1HRH3AVPR1AAVPR1BCCR5
SCHEMBL3832667 0.81 CCR5 (0.47) MCHR1CCR5KCNH2
SCHEMBL3832661 0.81 CCR5 (0.47) MCHR1CCR5KCNH2
SCHEMBL3761293 0.79 ACHE (0.55) MEN1KMT2A
SCHEMBL3833501 0.77 CCR5 (0.36) MCHR1SIGMAR1CCR5KCNH2
SCHEMBL3833495 0.77 CCR5 (0.36) MCHR1SIGMAR1CCR5KCNH2
SCHEMBL3757430 0.77 CCR5 (0.45) MCHR1CCR5KCNH2
SCHEMBL3757433 0.77 CCR5 (0.45) MCHR1CCR5KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 MCHR1 340/4885SIGMAR1 890/4885HRH3 703/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 MCHR1 340/4885SIGMAR1 890/4885HRH3 703/4885

“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.