SCHEMBL3672288

SCHEMBL3672288

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
HRH4 Q9H3N8 5/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
HTR3A P46098 1/20 0.31
GUSB P08236 1/20 0.30
HCRTR2 O43614 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3667535 0.90 BACE1 (0.34) BACE1HRH4TSHRRECQLHRH3
SCHEMBL13007631 0.87 HRH4 (0.32) BACE1HRH4TSHRRECQLHRH3
SCHEMBL3669278 0.87 HRH4 (0.32) BACE1HRH4TSHRRECQLHRH3
SCHEMBL3780821 0.87 HRH4 (0.32) BACE1HRH4TSHRRECQLHRH3
SCHEMBL3669877 0.85 HRH4 (0.33) BACE1HRH4TSHRRECQLHRH3
SCHEMBL3669917 0.85 MAPK1 (0.32) HRH4HRH3HTR3AGUSBHCRTR2
SCHEMBL3670725 0.85 MAPK1 (0.32) HRH4HRH3HTR3AGUSBHCRTR2
SCHEMBL3675423 0.84 HRH4 (0.33) HRH4TSHRRECQLHRH3HTR3A
SCHEMBL3672734 0.84 HRH4 (0.33) HRH4TSHRRECQLHRH3HTR3A
SCHEMBL3666328 0.82 BACE1 (0.36) BACE1HRH4TSHRRECQLHRH3

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 BACE1 3389/4885HRH4 4875/4885TSHR 647/4885

“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.