SCHEMBL3672009

SCHEMBL3672009

CC(n1c(O)nc2ncc(Cl)cc21)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 10/20 0.38
HRH4 Q9H3N8 5/20 0.33
HRH3 Q9Y5N1 2/20 0.33
HTR3A P46098 1/20 0.33
GUSB P08236 1/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
CCR9 P51686 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL3668593 0.85 HRH4 (0.36) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3675249 0.82 HRH4 (0.33) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3673060 0.81 HRH4 (0.32) HRH4HRH3HTR3AGUSBHTT
SCHEMBL13007627 0.81 HRH4 (0.32) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3668095 0.81 HRH4 (0.32) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3672734 0.80 HRH4 (0.33) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3670194 0.80 HRH4 (0.33) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3669613 0.80 HRH4 (0.33) HRH4HRH3HTR3AGUSBHTT
SCHEMBL3675423 0.80 HRH4 (0.33) HRH4HRH3HTR3AGUSBHTT
SCHEMBL2300295 0.80 HRH4 (0.33) HRH4HRH3HTR3AGUSBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 B3GNT2 3791/4885HRH4 4875/4885HRH3 4669/4885

“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.