SCHEMBL3676314

SCHEMBL3676314

CC[C@H](CCO)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.32
HRH3 Q9Y5N1 3/20 0.32
HTR3A P46098 2/20 0.32
BACE1 P56817 1/20 0.31
GUSB P08236 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13007659 1.00 HRH4 (0.32) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL13007647 0.92 MAPK1 (0.33) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL3666328 0.92 BACE1 (0.36) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL13007631 0.91 HRH4 (0.32) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL3669278 0.91 HRH4 (0.32) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL3780821 0.91 HRH4 (0.32) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL3668547 0.87 BACE1 (0.33) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL3667090 0.86 MAPK1 (0.34) HRH4HRH3HTR3AGUSBHPGD
SCHEMBL3667535 0.86 BACE1 (0.34) HRH4HRH3HTR3ABACE1GUSB
SCHEMBL3670725 0.86 MAPK1 (0.32) HRH4HRH3HTR3AGUSBHPGD

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 HRH4 4875/4885HRH3 4669/4885HTR3A 3036/4885

“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.